2-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]benzoic acid

C22H19NO4 — CID 1431347

IUPAC2-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]benzoic acid
SMILESCOc1cccc(CNC(=O)c2ccccc2-c2ccccc2C(=O)O)c1
InChIInChI=1S/C22H19NO4/c1-27-16-8-6-7-15(13-16)14-23-21(24)19-11-4-2-9-17(19)18-10-3-5-12-20(18)22(25)26/h2-13H,14H2,1H3,(H,23,24)(H,25,26)
InChIKeyHAHWZMRQVHUTIZ-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.99
Rot. Bonds6

About 2-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]benzoic acid

2-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]benzoic acid (PubChem CID 1431347) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]benzoic acid
PubChem CID1431347
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name2-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]benzoic acid
SMILESCOc1cccc(CNC(=O)c2ccccc2-c2ccccc2C(=O)O)c1
InChIInChI=1S/C22H19NO4/c1-27-16-8-6-7-15(13-16)14-23-21(24)19-11-4-2-9-17(19)18-10-3-5-12-20(18)22(25)26/h2-13H,14H2,1H3,(H,23,24)(H,25,26)
InChIKeyHAHWZMRQVHUTIZ-UHFFFAOYSA-N
XLogP3.99
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyclohexyl carbamic acid 3'-carbamoylbiphenyl-3-yl ester
CID 1383884
Urb937
CID 53394762
Adomeglivant
CID 91933867
Cbobnea
CID 9957516
N-((4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)benzamide
CID 746156
Benzamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071639
N-(4-methoxybenzyl)[1,1'-biphenyl]-4-carboxamide
CID 710674
3-[({(1s,2r)-1-Benzyl-2-Hydroxy-3-[(3-Methoxybenzyl)amino]propyl}amino)(Hydroxy)methyl]-N,N-Dipropylbenzamide
CID 449107
2-[4-[[(3,5-Dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]phenyl]acetic acid
CID 66775043
[3-(3-carbamoylphenyl)-4-methylphenyl] N-cyclohexylcarbamate
CID 71511803
3-[4-(3,5-Dimethylphenoxy)-2-({[(1R)-1-(3,5-dimethylphenyl)-3-methylbutyl]amino}carbonyl)phenyl]propanoic acid
CID 10028427
3-[4-(3-Cyanophenoxy)-2-({[(1R)-1-(3,5-dimethylphenyl)-3-methylbutyl]amino}carbonyl)phenyl]propanoic acid
CID 10368064

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]benzoic acid?
The IUPAC name of 2-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]benzoic acid (CID 1431347) is 2-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]benzoic acid?
The canonical SMILES for 2-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]benzoic acid is COc1cccc(CNC(=O)c2ccccc2-c2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]benzoic acid?
The InChIKey is HAHWZMRQVHUTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-27-16-8-6-7-15(13-16)14-23-21(24)19-11-4-2-9-17(19)18-10-3-5-12-20(18)22(25)26/h2-13H,14H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]benzoic acid?
2-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]benzoic acid has a molecular weight of 361.40 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]benzoic acid is sourced from PubChem (CID 1431347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).