4-[(2-methoxyphenyl)carbamoylamino]benzoic acid

C15H14N2O4 — CID 853793

IUPAC4-[(2-methoxyphenyl)carbamoylamino]benzoic acid
SMILESCOc1ccccc1NC(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H14N2O4/c1-21-13-5-3-2-4-12(13)17-15(20)16-11-8-6-10(7-9-11)14(18)19/h2-9H,1H3,(H,18,19)(H2,16,17,20)
InChIKeyZICOGKQKBIDVMQ-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.04
Rot. Bonds4

About 4-[(2-methoxyphenyl)carbamoylamino]benzoic acid

4-[(2-methoxyphenyl)carbamoylamino]benzoic acid (PubChem CID 853793) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)carbamoylamino]benzoic acid
PubChem CID853793
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name4-[(2-methoxyphenyl)carbamoylamino]benzoic acid
SMILESCOc1ccccc1NC(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H14N2O4/c1-21-13-5-3-2-4-12(13)17-15(20)16-11-8-6-10(7-9-11)14(18)19/h2-9H,1H3,(H,18,19)(H2,16,17,20)
InChIKeyZICOGKQKBIDVMQ-UHFFFAOYSA-N
XLogP3.04
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

CID 168763596
CID 168763596
4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoic acid
CID 2329032
1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea
CID 43602334
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 71799842
4-[(3-methoxyphenyl)carbamoylamino]benzoic acid
CID 4286151
1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108992011
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
1-(4-anilino-2-methoxyphenyl)-3-phenylurea
CID 110179401
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(2-methoxyphenyl)urea
CID 30372555
1-(2-methoxyphenyl)-3-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea
CID 9439467
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2-methoxyphenyl)urea
CID 46381122

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)carbamoylamino]benzoic acid?
The IUPAC name of 4-[(2-methoxyphenyl)carbamoylamino]benzoic acid (CID 853793) is 4-[(2-methoxyphenyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 4-[(2-methoxyphenyl)carbamoylamino]benzoic acid?
The canonical SMILES for 4-[(2-methoxyphenyl)carbamoylamino]benzoic acid is COc1ccccc1NC(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(2-methoxyphenyl)carbamoylamino]benzoic acid?
The InChIKey is ZICOGKQKBIDVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-21-13-5-3-2-4-12(13)17-15(20)16-11-8-6-10(7-9-11)14(18)19/h2-9H,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[(2-methoxyphenyl)carbamoylamino]benzoic acid?
4-[(2-methoxyphenyl)carbamoylamino]benzoic acid has a molecular weight of 286.29 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 853793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).