5-chloro-N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide

C97H76Cl7F3N12O7 — CID 157441096

IUPAC5-chloro-N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3cc(F)ccc3[nH]2)cc1.O=C(NCc1ccc(Cl)cc1)c1cc2cc(Cl)ccc2[nH]1.O=C(NCc1ccc(F)c(Cl)c1)c1cc2ccccc2[nH]1.O=C(NCc1ccc(F)cc1Cl)c1cc2ccccc2[nH]1.O=C(NCc1cccc(Cl)c1)c1cc2cc(Cl)ccc2[nH]1.O=C(NCc1cccc(Cl)c1)c1cc2ccccc2[nH]1
InChIInChI=1S/C17H15FN2O2.2C16H12Cl2N2O.2C16H12ClFN2O.C16H13ClN2O/c1-22-14-5-2-11(3-6-14)10-19-17(21)16-9-12-8-13(18)4-7-15(12)20-16;17-12-3-1-10(2-4-12)9-19-16(21)15-8-11-7-13(18)5-6-14(11)20-15;17-12-3-1-2-10(6-12)9-19-16(21)15-8-11-7-13(18)4-5-14(11)20-15;17-12-7-10(5-6-13(12)18)9-19-16(21)15-8-11-3-1-2-4-14(11)20-15;17-13-8-12(18)6-5-11(13)9-19-16(21)15-7-10-3-1-2-4-14(10)20-15;17-13-6-3-4-11(8-13)10-18-16(20)15-9-12-5-1-2-7-14(12)19-15/h2-9,20H,10H2,1H3,(H,19,21);4*1-8,20H,9H2,(H,19,21);1-9,19H,10H2,(H,18,20)
InChIKeyBRRJATCXYVLZBM-UHFFFAOYSA-N
MW1826.92 g/mol
LogP23.59
Rot. Bonds19

About 5-chloro-N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide

5-chloro-N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 157441096) has the molecular formula C97H76Cl7F3N12O7 and a molecular weight of 1826.92 g/mol. Its IUPAC name is 5-chloro-N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide
PubChem CID157441096
Molecular FormulaC97H76Cl7F3N12O7
Molecular Weight1826.92 g/mol
Exact Mass1822.37
IUPAC Name5-chloro-N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3cc(F)ccc3[nH]2)cc1.O=C(NCc1ccc(Cl)cc1)c1cc2cc(Cl)ccc2[nH]1.O=C(NCc1ccc(F)c(Cl)c1)c1cc2ccccc2[nH]1.O=C(NCc1ccc(F)cc1Cl)c1cc2ccccc2[nH]1.O=C(NCc1cccc(Cl)c1)c1cc2cc(Cl)ccc2[nH]1.O=C(NCc1cccc(Cl)c1)c1cc2ccccc2[nH]1
InChIInChI=1S/C17H15FN2O2.2C16H12Cl2N2O.2C16H12ClFN2O.C16H13ClN2O/c1-22-14-5-2-11(3-6-14)10-19-17(21)16-9-12-8-13(18)4-7-15(12)20-16;17-12-3-1-10(2-4-12)9-19-16(21)15-8-11-7-13(18)5-6-14(11)20-15;17-12-3-1-2-10(6-12)9-19-16(21)15-8-11-7-13(18)4-5-14(11)20-15;17-12-7-10(5-6-13(12)18)9-19-16(21)15-8-11-3-1-2-4-14(11)20-15;17-13-8-12(18)6-5-11(13)9-19-16(21)15-7-10-3-1-2-4-14(10)20-15;17-13-6-3-4-11(8-13)10-18-16(20)15-9-12-5-1-2-7-14(12)19-15/h2-9,20H,10H2,1H3,(H,19,21);4*1-8,20H,9H2,(H,19,21);1-9,19H,10H2,(H,18,20)
InChIKeyBRRJATCXYVLZBM-UHFFFAOYSA-N
XLogP23.59
TPSA278.57 Ų
H-Bond Donors12
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001826.92
LogP ≤ 523.59
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 107

Analyze 5-chloro-N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide (CID 157441096) is 5-chloro-N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide is COc1ccc(CNC(=O)c2cc3cc(F)ccc3[nH]2)cc1.O=C(NCc1ccc(Cl)cc1)c1cc2cc(Cl)ccc2[nH]1.O=C(NCc1ccc(F)c(Cl)c1)c1cc2ccccc2[nH]1.O=C(NCc1ccc(F)cc1Cl)c1cc2ccccc2[nH]1.O=C(NCc1cccc(Cl)c1)c1cc2cc(Cl)ccc2[nH]1.O=C(NCc1cccc(Cl)c1)c1cc2ccccc2[nH]1.
What is the InChIKey of 5-chloro-N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is BRRJATCXYVLZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2.2C16H12Cl2N2O.2C16H12ClFN2O.C16H13ClN2O/c1-22-14-5-2-11(3-6-14)10-19-17(21)16-9-12-8-13(18)4-7-15(12)20-16;17-12-3-1-10(2-4-12)9-19-16(21)15-8-11-7-13(18)5-6-14(11)20-15;17-12-3-1-2-10(6-12)9-19-16(21)15-8-11-7-13(18)4-5-14(11)20-15;17-12-7-10(5-6-13(12)18)9-19-16(21)15-8-11-3-1-2-4-14(11)20-15;17-13-8-12(18)6-5-11(13)9-19-16(21)15-7-10-3-1-2-4-14(10)20-15;17-13-6-3-4-11(8-13)10-18-16(20)15-9-12-5-1-2-7-14(12)19-15/h2-9,20H,10H2,1H3,(H,19,21);4*1-8,20H,9H2,(H,19,21);1-9,19H,10H2,(H,18,20).
What are the key properties of 5-chloro-N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide?
5-chloro-N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 1826.92 g/mol, XLogP of 23.59, 19 rotatable bonds, 12 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-chlorophenyl)methyl]-1H-indole-2-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 157441096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).