2-[3-chloro-4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid

C22H16Cl2FNO4 — CID 24957191

IUPAC2-[3-chloro-4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2c(Cl)ccc(OCc3ccccc3)c2F)c(Cl)c1
InChIInChI=1S/C22H16Cl2FNO4/c23-15-7-9-18(30-12-13-4-2-1-3-5-13)21(25)20(15)22(29)26-17-8-6-14(10-16(17)24)11-19(27)28/h1-10H,11-12H2,(H,26,29)(H,27,28)
InChIKeyVZKYCJPJYMCHQE-UHFFFAOYSA-N
MW448.28 g/mol
LogP5.59
Rot. Bonds7

About 2-[3-chloro-4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid

2-[3-chloro-4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid (PubChem CID 24957191) has the molecular formula C22H16Cl2FNO4 and a molecular weight of 448.28 g/mol. Its IUPAC name is 2-[3-chloro-4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-chloro-4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid
PubChem CID24957191
Molecular FormulaC22H16Cl2FNO4
Molecular Weight448.28 g/mol
Exact Mass447.04
IUPAC Name2-[3-chloro-4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2c(Cl)ccc(OCc3ccccc3)c2F)c(Cl)c1
InChIInChI=1S/C22H16Cl2FNO4/c23-15-7-9-18(30-12-13-4-2-1-3-5-13)21(25)20(15)22(29)26-17-8-6-14(10-16(17)24)11-19(27)28/h1-10H,11-12H2,(H,26,29)(H,27,28)
InChIKeyVZKYCJPJYMCHQE-UHFFFAOYSA-N
XLogP5.59
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.28
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-chloro-4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid with MolForge

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Related Compounds

2-[4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid
CID 24957188
2-[3-chloro-4-[[2-chloro-5-[(4-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetic acid
CID 24957937
[2-[3-chloro-4-[[5-chloro-2-[(3-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetyl] 2-[3-chloro-4-[(5-chloro-2-phenylmethoxybenzoyl)amino]phenyl]acetate
CID 91243826
2-[3-chloro-4-[[5-[(3-fluorophenyl)methoxy]-2-methylbenzoyl]amino]phenyl]acetic acid
CID 24958318
6-chloro-2-fluoro-N-(3-methylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-phenylmethoxybenzamide
CID 51002333
6-chloro-N-(3-ethoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-2-fluoro-3-phenylmethoxybenzamide
CID 51002335
2-[(3-chloro-4-phenylmethoxyphenyl)carbamoyl]-3,4,5,6-tetrafluorobenzoic acid
CID 51036938
methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate
CID 561937
2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid
CID 5002950
2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid
CID 166161146
2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetic acid
CID 51057233
2-[4-[(2-bromophenyl)carbamoylamino]-3-chlorophenyl]acetic acid
CID 23512395

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-chloro-4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid (CID 24957191) is 2-[3-chloro-4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-chloro-4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-chloro-4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)c2c(Cl)ccc(OCc3ccccc3)c2F)c(Cl)c1.
What is the InChIKey of 2-[3-chloro-4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid?
The InChIKey is VZKYCJPJYMCHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2FNO4/c23-15-7-9-18(30-12-13-4-2-1-3-5-13)21(25)20(15)22(29)26-17-8-6-14(10-16(17)24)11-19(27)28/h1-10H,11-12H2,(H,26,29)(H,27,28).
What are the key properties of 2-[3-chloro-4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid?
2-[3-chloro-4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid has a molecular weight of 448.28 g/mol, XLogP of 5.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid is sourced from PubChem (CID 24957191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).