2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-2-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-3-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[1-(4-nitrophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid

C192H164Br3N13O20 — CID 158921639

About 2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-2-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-3-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[1-(4-nitrophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid

2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-2-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-3-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[1-(4-nitrophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid (PubChem CID 158921639) has the molecular formula C192H164Br3N13O20 and a molecular weight of 3213.21 g/mol. Its IUPAC name is 2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-2-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-3-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[1-(4-nitrophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid.

Molecular Properties

• Compound Name: 2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-2-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-3-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[1-(4-nitrophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
• PubChem CID: 158921639
• Molecular Formula: C192H164Br3N13O20
• Molecular Weight: 3213.21 g/mol
• Exact Mass: 3207.98
• IUPAC Name: 2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-2-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-3-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[1-(4-nitrophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
• SMILES: CC(NC(=O)c1ccc2c(ccn2Cc2ccc(-c3ccccc3C(=O)O)cc2)c1)c1ccc(Br)cc1.CCC(NC(=O)c1ccc2c(c1)c(C)cn2Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1.CCC(NC(=O)c1ccc2c(ccn2Cc2ccc(-c3ccccc3C(=O)O)cc2)c1)c1ccccc1.Cc1cc2cc(C(=O)NC(C)c3ccc(Br)cc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1.Cc1cn(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NC(C)c3ccc(Br)cc3)cc12.Cc1cn(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NC(C)c3ccc([N+](=O)[O-])cc3)cc12
• InChI: InChI=1S/C33H30N2O3.2C32H27BrN2O3.C32H27N3O5.C32H28N2O3.C31H25BrN2O3/c1-3-30(25-9-5-4-6-10-25)34-32(36)26-17-18-31-29(19-26)22(2)20-35(31)21-23-13-15-24(16-14-23)27-11-7-8-12-28(27)33(37)38;1-20-18-35(19-22-7-9-24(10-8-22)27-5-3-4-6-28(27)32(37)38)30-16-13-25(17-29(20)30)31(36)34-21(2)23-11-14-26(33)15-12-23;1-20-17-26-18-25(31(36)34-21(2)23-11-14-27(33)15-12-23)13-16-30(26)35(20)19-22-7-9-24(10-8-22)28-5-3-4-6-29(28)32(37)38;1-20-18-34(19-22-7-9-24(10-8-22)27-5-3-4-6-28(27)32(37)38)30-16-13-25(17-29(20)30)31(36)33-21(2)23-11-14-26(15-12-23)35(39)40;1-2-29(24-8-4-3-5-9-24)33-31(35)26-16-17-30-25(20-26)18-19-34(30)21-22-12-14-23(15-13-22)27-10-6-7-11-28(27)32(36)37;1-20(22-10-13-26(32)14-11-22)33-30(35)25-12-15-29-24(18-25)16-17-34(29)19-21-6-8-23(9-7-21)27-4-2-3-5-28(27)31(36)37/h4-20,30H,3,21H2,1-2H3,(H,34,36)(H,37,38);2*3-18,21H,19H2,1-2H3,(H,34,36)(H,37,38);3-18,21H,19H2,1-2H3,(H,33,36)(H,37,38);3-20,29H,2,21H2,1H3,(H,33,35)(H,36,37);2-18,20H,19H2,1H3,(H,33,35)(H,36,37)
• InChIKey: JHXFNSSHWYEWLD-UHFFFAOYSA-N
• XLogP: 43.48
• TPSA: 471.12 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 20
• Rotatable Bonds: 45
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3213.21
LogP ≤ 5	43.48
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-2-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-3-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[1-(4-nitrophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid?

The IUPAC name of 2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-2-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-3-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[1-(4-nitrophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid (CID 158921639) is 2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-2-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-3-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[1-(4-nitrophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid.

What is the SMILES notation for 2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-2-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-3-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[1-(4-nitrophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid?

The canonical SMILES for 2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-2-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-3-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[1-(4-nitrophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid is CC(NC(=O)c1ccc2c(ccn2Cc2ccc(-c3ccccc3C(=O)O)cc2)c1)c1ccc(Br)cc1.CCC(NC(=O)c1ccc2c(c1)c(C)cn2Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1.CCC(NC(=O)c1ccc2c(ccn2Cc2ccc(-c3ccccc3C(=O)O)cc2)c1)c1ccccc1.Cc1cc2cc(C(=O)NC(C)c3ccc(Br)cc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1.Cc1cn(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NC(C)c3ccc(Br)cc3)cc12.Cc1cn(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NC(C)c3ccc([N+](=O)[O-])cc3)cc12.

What is the InChIKey of 2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-2-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-3-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[1-(4-nitrophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid?

The InChIKey is JHXFNSSHWYEWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N2O3.2C32H27BrN2O3.C32H27N3O5.C32H28N2O3.C31H25BrN2O3/c1-3-30(25-9-5-4-6-10-25)34-32(36)26-17-18-31-29(19-26)22(2)20-35(31)21-23-13-15-24(16-14-23)27-11-7-8-12-28(27)33(37)38;1-20-18-35(19-22-7-9-24(10-8-22)27-5-3-4-6-28(27)32(37)38)30-16-13-25(17-29(20)30)31(36)34-21(2)23-11-14-26(33)15-12-23;1-20-17-26-18-25(31(36)34-21(2)23-11-14-27(33)15-12-23)13-16-30(26)35(20)19-22-7-9-24(10-8-22)28-5-3-4-6-29(28)32(37)38;1-20-18-34(19-22-7-9-24(10-8-22)27-5-3-4-6-28(27)32(37)38)30-16-13-25(17-29(20)30)31(36)33-21(2)23-11-14-26(15-12-23)35(39)40;1-2-29(24-8-4-3-5-9-24)33-31(35)26-16-17-30-25(20-26)18-19-34(30)21-22-12-14-23(15-13-22)27-10-6-7-11-28(27)32(36)37;1-20(22-10-13-26(32)14-11-22)33-30(35)25-12-15-29-24(18-25)16-17-34(29)19-21-6-8-23(9-7-21)27-4-2-3-5-28(27)31(36)37/h4-20,30H,3,21H2,1-2H3,(H,34,36)(H,37,38);2*3-18,21H,19H2,1-2H3,(H,34,36)(H,37,38);3-18,21H,19H2,1-2H3,(H,33,36)(H,37,38);3-20,29H,2,21H2,1H3,(H,33,35)(H,36,37);2-18,20H,19H2,1H3,(H,33,35)(H,36,37).

What are the key properties of 2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-2-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-3-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[1-(4-nitrophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid?

2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-2-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-3-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[1-(4-nitrophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid has a molecular weight of 3213.21 g/mol, XLogP of 43.48, 45 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-2-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-3-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[1-(4-nitrophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid is sourced from PubChem (CID 158921639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).