2-[3-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]acetic acid

C23H19Cl2NO4 — CID 59608437

IUPAC2-[3-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(CNC(=O)c2cc(OCc3cccc(Cl)c3)ccc2Cl)c1
InChIInChI=1S/C23H19Cl2NO4/c24-18-6-2-5-17(10-18)14-30-19-7-8-21(25)20(12-19)23(29)26-13-16-4-1-3-15(9-16)11-22(27)28/h1-10,12H,11,13-14H2,(H,26,29)(H,27,28)
InChIKeyWUJTWTCLGHWXEJ-UHFFFAOYSA-N
MW444.31 g/mol
LogP5.13
Rot. Bonds8

About 2-[3-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]acetic acid

2-[3-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]acetic acid (PubChem CID 59608437) has the molecular formula C23H19Cl2NO4 and a molecular weight of 444.31 g/mol. Its IUPAC name is 2-[3-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]acetic acid
PubChem CID59608437
Molecular FormulaC23H19Cl2NO4
Molecular Weight444.31 g/mol
Exact Mass443.07
IUPAC Name2-[3-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(CNC(=O)c2cc(OCc3cccc(Cl)c3)ccc2Cl)c1
InChIInChI=1S/C23H19Cl2NO4/c24-18-6-2-5-17(10-18)14-30-19-7-8-21(25)20(12-19)23(29)26-13-16-4-1-3-15(9-16)11-22(27)28/h1-10,12H,11,13-14H2,(H,26,29)(H,27,28)
InChIKeyWUJTWTCLGHWXEJ-UHFFFAOYSA-N
XLogP5.13
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.31
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-3-methylphenyl]acetic acid
CID 24952548
6-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]pyridine-3-carboxylic acid
CID 42601942
2-[5-chloro-4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-2-fluorophenyl]acetic acid
CID 24952552
2-[3-chloro-4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-2-fluorophenyl]acetic acid
CID 24952187
N-benzyl-2-(2-chlorophenyl)-5-phenylmethoxybenzamide
CID 16663789
2-amino-5-[(3-chlorophenyl)methoxy]benzoic acid
CID 65125909
2-[3-chloro-4-[[2-chloro-5-[(4-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetic acid
CID 24957937
5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid
CID 59760044
2-[3-[(2,4-dichlorophenoxy)methyl]phenyl]acetic acid
CID 155146115
2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide
CID 17071308
N-(3-aminopropyl)-2-[3-[(3-chlorophenyl)methoxy]phenyl]acetamide
CID 119405733
2-[3-chloro-4-[[5-[(3-fluorophenyl)methoxy]-2-methylbenzoyl]amino]phenyl]acetic acid
CID 24958318

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[3-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]acetic acid (CID 59608437) is 2-[3-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]acetic acid is O=C(O)Cc1cccc(CNC(=O)c2cc(OCc3cccc(Cl)c3)ccc2Cl)c1.
What is the InChIKey of 2-[3-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]acetic acid?
The InChIKey is WUJTWTCLGHWXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2NO4/c24-18-6-2-5-17(10-18)14-30-19-7-8-21(25)20(12-19)23(29)26-13-16-4-1-3-15(9-16)11-22(27)28/h1-10,12H,11,13-14H2,(H,26,29)(H,27,28).
What are the key properties of 2-[3-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]acetic acid?
2-[3-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]acetic acid has a molecular weight of 444.31 g/mol, XLogP of 5.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]acetic acid is sourced from PubChem (CID 59608437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).