2-[[4-[(4-chlorophenyl)carbamoyl]phenoxy]methyl]benzoic acid

C21H16ClNO4 — CID 22684313

IUPAC2-[[4-[(4-chlorophenyl)carbamoyl]phenoxy]methyl]benzoic acid
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(OCc2ccccc2C(=O)O)cc1
InChIInChI=1S/C21H16ClNO4/c22-16-7-9-17(10-8-16)23-20(24)14-5-11-18(12-6-14)27-13-15-3-1-2-4-19(15)21(25)26/h1-12H,13H2,(H,23,24)(H,25,26)
InChIKeyPCZJMUJPXSGELM-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.87
Rot. Bonds6

About 2-[[4-[(4-chlorophenyl)carbamoyl]phenoxy]methyl]benzoic acid

2-[[4-[(4-chlorophenyl)carbamoyl]phenoxy]methyl]benzoic acid (PubChem CID 22684313) has the molecular formula C21H16ClNO4 and a molecular weight of 381.82 g/mol. Its IUPAC name is 2-[[4-[(4-chlorophenyl)carbamoyl]phenoxy]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-[(4-chlorophenyl)carbamoyl]phenoxy]methyl]benzoic acid
PubChem CID22684313
Molecular FormulaC21H16ClNO4
Molecular Weight381.82 g/mol
Exact Mass381.08
IUPAC Name2-[[4-[(4-chlorophenyl)carbamoyl]phenoxy]methyl]benzoic acid
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(OCc2ccccc2C(=O)O)cc1
InChIInChI=1S/C21H16ClNO4/c22-16-7-9-17(10-8-16)23-20(24)14-5-11-18(12-6-14)27-13-15-3-1-2-4-19(15)21(25)26/h1-12H,13H2,(H,23,24)(H,25,26)
InChIKeyPCZJMUJPXSGELM-UHFFFAOYSA-N
XLogP4.87
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[(2-chlorophenyl)carbamoyl]phenoxy]methyl]benzoic acid
CID 20986440
4-[(2-chlorophenyl)methoxy]-N-phenylbenzamide
CID 8813243
4-[(2-chlorophenyl)methoxy]-N-(4-phenoxyphenyl)benzamide
CID 19916426
N-(4-chlorophenyl)-6-(phenoxymethyl)pyridine-3-carboxamide
CID 58533794
[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2-phenylethyl)benzoate
CID 19181459
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 18105543
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-2-(methoxymethyl)benzamide
CID 39089763
4-[4-[(4-chlorophenyl)carbamoyl]phenoxy]butanoic acid
CID 20984298
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
2-chloro-N-[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide
CID 19644954
2-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenoxy]methyl]benzoic acid
CID 20988651

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-chlorophenyl)carbamoyl]phenoxy]methyl]benzoic acid?
The IUPAC name of 2-[[4-[(4-chlorophenyl)carbamoyl]phenoxy]methyl]benzoic acid (CID 22684313) is 2-[[4-[(4-chlorophenyl)carbamoyl]phenoxy]methyl]benzoic acid.
What is the SMILES notation for 2-[[4-[(4-chlorophenyl)carbamoyl]phenoxy]methyl]benzoic acid?
The canonical SMILES for 2-[[4-[(4-chlorophenyl)carbamoyl]phenoxy]methyl]benzoic acid is O=C(Nc1ccc(Cl)cc1)c1ccc(OCc2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[[4-[(4-chlorophenyl)carbamoyl]phenoxy]methyl]benzoic acid?
The InChIKey is PCZJMUJPXSGELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO4/c22-16-7-9-17(10-8-16)23-20(24)14-5-11-18(12-6-14)27-13-15-3-1-2-4-19(15)21(25)26/h1-12H,13H2,(H,23,24)(H,25,26).
What are the key properties of 2-[[4-[(4-chlorophenyl)carbamoyl]phenoxy]methyl]benzoic acid?
2-[[4-[(4-chlorophenyl)carbamoyl]phenoxy]methyl]benzoic acid has a molecular weight of 381.82 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-chlorophenyl)carbamoyl]phenoxy]methyl]benzoic acid is sourced from PubChem (CID 22684313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).