4-[(4-carbamoylphenyl)methoxy]-3-chlorobenzoic acid

C15H12ClNO4 — CID 60711874

IUPAC4-[(4-carbamoylphenyl)methoxy]-3-chlorobenzoic acid
SMILESNC(=O)c1ccc(COc2ccc(C(=O)O)cc2Cl)cc1
InChIInChI=1S/C15H12ClNO4/c16-12-7-11(15(19)20)5-6-13(12)21-8-9-1-3-10(4-2-9)14(17)18/h1-7H,8H2,(H2,17,18)(H,19,20)
InChIKeyCQJKBSFACROKDA-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.72
Rot. Bonds5

About 4-[(4-carbamoylphenyl)methoxy]-3-chlorobenzoic acid

4-[(4-carbamoylphenyl)methoxy]-3-chlorobenzoic acid (PubChem CID 60711874) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is 4-[(4-carbamoylphenyl)methoxy]-3-chlorobenzoic acid.

Molecular Properties

Compound Name4-[(4-carbamoylphenyl)methoxy]-3-chlorobenzoic acid
PubChem CID60711874
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name4-[(4-carbamoylphenyl)methoxy]-3-chlorobenzoic acid
SMILESNC(=O)c1ccc(COc2ccc(C(=O)O)cc2Cl)cc1
InChIInChI=1S/C15H12ClNO4/c16-12-7-11(15(19)20)5-6-13(12)21-8-9-1-3-10(4-2-9)14(17)18/h1-7H,8H2,(H2,17,18)(H,19,20)
InChIKeyCQJKBSFACROKDA-UHFFFAOYSA-N
XLogP2.72
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
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3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzamide
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3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 60651653
4-[(3-bromophenyl)methoxy]-3-chlorobenzamide
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1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 65125936
3-amino-1-(3-chloro-4-phenylmethoxyphenyl)propan-1-one
CID 117468024
3-chloro-4-[(3-cyanophenyl)methoxy]benzoic acid
CID 60711872
3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide
CID 76899274
4-[(2-bromo-4-fluorophenoxy)methyl]benzamide
CID 24526653
4-amino-2-[(4-carbamoylphenyl)methoxy]benzoic acid
CID 106954770

Frequently Asked Questions

What is the IUPAC name of 4-[(4-carbamoylphenyl)methoxy]-3-chlorobenzoic acid?
The IUPAC name of 4-[(4-carbamoylphenyl)methoxy]-3-chlorobenzoic acid (CID 60711874) is 4-[(4-carbamoylphenyl)methoxy]-3-chlorobenzoic acid.
What is the SMILES notation for 4-[(4-carbamoylphenyl)methoxy]-3-chlorobenzoic acid?
The canonical SMILES for 4-[(4-carbamoylphenyl)methoxy]-3-chlorobenzoic acid is NC(=O)c1ccc(COc2ccc(C(=O)O)cc2Cl)cc1.
What is the InChIKey of 4-[(4-carbamoylphenyl)methoxy]-3-chlorobenzoic acid?
The InChIKey is CQJKBSFACROKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c16-12-7-11(15(19)20)5-6-13(12)21-8-9-1-3-10(4-2-9)14(17)18/h1-7H,8H2,(H2,17,18)(H,19,20).
What are the key properties of 4-[(4-carbamoylphenyl)methoxy]-3-chlorobenzoic acid?
4-[(4-carbamoylphenyl)methoxy]-3-chlorobenzoic acid has a molecular weight of 305.72 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-carbamoylphenyl)methoxy]-3-chlorobenzoic acid is sourced from PubChem (CID 60711874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).