1-[2-amino-5-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-3-hydroxypropan-2-one;4-chloro-5-[(3-chlorophenyl)methoxy]benzene-1,2-diamine;[6-chloro-5-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol;4-chloro-5-[(3-chlorophenyl)methoxy]-2-nitroaniline;(3-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;2-hydroxyacetic acid

C72H64Cl11N9O15 — CID 157476129

About 1-[2-amino-5-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-3-hydroxypropan-2-one;4-chloro-5-[(3-chlorophenyl)methoxy]benzene-1,2-diamine;[6-chloro-5-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol;4-chloro-5-[(3-chlorophenyl)methoxy]-2-nitroaniline;(3-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;2-hydroxyacetic acid

1-[2-amino-5-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-3-hydroxypropan-2-one;4-chloro-5-[(3-chlorophenyl)methoxy]benzene-1,2-diamine;[6-chloro-5-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol;4-chloro-5-[(3-chlorophenyl)methoxy]-2-nitroaniline;(3-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;2-hydroxyacetic acid (PubChem CID 157476129) has the molecular formula C72H64Cl11N9O15 and a molecular weight of 1685.33 g/mol. Its IUPAC name is 1-[2-amino-5-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-3-hydroxypropan-2-one;4-chloro-5-[(3-chlorophenyl)methoxy]benzene-1,2-diamine;[6-chloro-5-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol;4-chloro-5-[(3-chlorophenyl)methoxy]-2-nitroaniline;(3-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;2-hydroxyacetic acid.

Molecular Properties

• Compound Name: 1-[2-amino-5-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-3-hydroxypropan-2-one;4-chloro-5-[(3-chlorophenyl)methoxy]benzene-1,2-diamine;[6-chloro-5-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol;4-chloro-5-[(3-chlorophenyl)methoxy]-2-nitroaniline;(3-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;2-hydroxyacetic acid
• PubChem CID: 157476129
• Molecular Formula: C72H64Cl11N9O15
• Molecular Weight: 1685.33 g/mol
• Exact Mass: 1679.11
• IUPAC Name: 1-[2-amino-5-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-3-hydroxypropan-2-one;4-chloro-5-[(3-chlorophenyl)methoxy]benzene-1,2-diamine;[6-chloro-5-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol;4-chloro-5-[(3-chlorophenyl)methoxy]-2-nitroaniline;(3-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;2-hydroxyacetic acid
• SMILES: Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-].Nc1cc(Cl)c(OCc2cccc(Cl)c2)cc1N.Nc1cc(OCc2cccc(Cl)c2)c(Cl)cc1CC(=O)CO.Nc1cc(OCc2cccc(Cl)c2)c(Cl)cc1[N+](=O)[O-].O=C(O)CO.OCc1cccc(Cl)c1.OCc1nc2cc(OCc3cccc(Cl)c3)c(Cl)cc2[nH]1
• InChI: InChI=1S/C16H15Cl2NO3.C15H12Cl2N2O2.C13H10Cl2N2O3.C13H12Cl2N2O.C7H7ClO.C6H4Cl2N2O2.C2H4O3/c17-12-3-1-2-10(4-12)9-22-16-7-15(19)11(6-14(16)18)5-13(21)8-20;16-10-3-1-2-9(4-10)8-21-14-6-13-12(5-11(14)17)18-15(7-20)19-13;14-9-3-1-2-8(4-9)7-20-13-6-11(16)12(17(18)19)5-10(13)15;14-9-3-1-2-8(4-9)7-18-13-6-12(17)11(16)5-10(13)15;8-7-3-1-2-6(4-7)5-9;7-3-1-5(9)6(10(11)12)2-4(3)8;3-1-2(4)5/h1-4,6-7,20H,5,8-9,19H2;1-6,20H,7-8H2,(H,18,19);1-6H,7,16H2;1-6H,7,16-17H2;1-4,9H,5H2;1-2H,9H2;3H,1H2,(H,4,5)
• InChIKey: BVPNGWGOSXNLOD-UHFFFAOYSA-N
• XLogP: 18.38
• TPSA: 417.27 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1685.33
LogP ≤ 5	18.38
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 1-[2-amino-5-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-3-hydroxypropan-2-one;4-chloro-5-[(3-chlorophenyl)methoxy]benzene-1,2-diamine;[6-chloro-5-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol;4-chloro-5-[(3-chlorophenyl)methoxy]-2-nitroaniline;(3-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;2-hydroxyacetic acid?

The IUPAC name of 1-[2-amino-5-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-3-hydroxypropan-2-one;4-chloro-5-[(3-chlorophenyl)methoxy]benzene-1,2-diamine;[6-chloro-5-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol;4-chloro-5-[(3-chlorophenyl)methoxy]-2-nitroaniline;(3-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;2-hydroxyacetic acid (CID 157476129) is 1-[2-amino-5-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-3-hydroxypropan-2-one;4-chloro-5-[(3-chlorophenyl)methoxy]benzene-1,2-diamine;[6-chloro-5-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol;4-chloro-5-[(3-chlorophenyl)methoxy]-2-nitroaniline;(3-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;2-hydroxyacetic acid.

What is the SMILES notation for 1-[2-amino-5-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-3-hydroxypropan-2-one;4-chloro-5-[(3-chlorophenyl)methoxy]benzene-1,2-diamine;[6-chloro-5-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol;4-chloro-5-[(3-chlorophenyl)methoxy]-2-nitroaniline;(3-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;2-hydroxyacetic acid?

The canonical SMILES for 1-[2-amino-5-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-3-hydroxypropan-2-one;4-chloro-5-[(3-chlorophenyl)methoxy]benzene-1,2-diamine;[6-chloro-5-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol;4-chloro-5-[(3-chlorophenyl)methoxy]-2-nitroaniline;(3-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;2-hydroxyacetic acid is Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-].Nc1cc(Cl)c(OCc2cccc(Cl)c2)cc1N.Nc1cc(OCc2cccc(Cl)c2)c(Cl)cc1CC(=O)CO.Nc1cc(OCc2cccc(Cl)c2)c(Cl)cc1[N+](=O)[O-].O=C(O)CO.OCc1cccc(Cl)c1.OCc1nc2cc(OCc3cccc(Cl)c3)c(Cl)cc2[nH]1.

What is the InChIKey of 1-[2-amino-5-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-3-hydroxypropan-2-one;4-chloro-5-[(3-chlorophenyl)methoxy]benzene-1,2-diamine;[6-chloro-5-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol;4-chloro-5-[(3-chlorophenyl)methoxy]-2-nitroaniline;(3-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;2-hydroxyacetic acid?

The InChIKey is BVPNGWGOSXNLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3.C15H12Cl2N2O2.C13H10Cl2N2O3.C13H12Cl2N2O.C7H7ClO.C6H4Cl2N2O2.C2H4O3/c17-12-3-1-2-10(4-12)9-22-16-7-15(19)11(6-14(16)18)5-13(21)8-20;16-10-3-1-2-9(4-10)8-21-14-6-13-12(5-11(14)17)18-15(7-20)19-13;14-9-3-1-2-8(4-9)7-20-13-6-11(16)12(17(18)19)5-10(13)15;14-9-3-1-2-8(4-9)7-18-13-6-12(17)11(16)5-10(13)15;8-7-3-1-2-6(4-7)5-9;7-3-1-5(9)6(10(11)12)2-4(3)8;3-1-2(4)5/h1-4,6-7,20H,5,8-9,19H2;1-6,20H,7-8H2,(H,18,19);1-6H,7,16H2;1-6H,7,16-17H2;1-4,9H,5H2;1-2H,9H2;3H,1H2,(H,4,5).

What are the key properties of 1-[2-amino-5-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-3-hydroxypropan-2-one;4-chloro-5-[(3-chlorophenyl)methoxy]benzene-1,2-diamine;[6-chloro-5-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol;4-chloro-5-[(3-chlorophenyl)methoxy]-2-nitroaniline;(3-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;2-hydroxyacetic acid?

1-[2-amino-5-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-3-hydroxypropan-2-one;4-chloro-5-[(3-chlorophenyl)methoxy]benzene-1,2-diamine;[6-chloro-5-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol;4-chloro-5-[(3-chlorophenyl)methoxy]-2-nitroaniline;(3-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;2-hydroxyacetic acid has a molecular weight of 1685.33 g/mol, XLogP of 18.38, 20 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-amino-5-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-3-hydroxypropan-2-one;4-chloro-5-[(3-chlorophenyl)methoxy]benzene-1,2-diamine;[6-chloro-5-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol;4-chloro-5-[(3-chlorophenyl)methoxy]-2-nitroaniline;(3-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;2-hydroxyacetic acid is sourced from PubChem (CID 157476129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).