4-[(3-methoxyphenyl)carbamoylamino]benzoic acid

C15H14N2O4 — CID 4286151

IUPAC4-[(3-methoxyphenyl)carbamoylamino]benzoic acid
SMILESCOc1cccc(NC(=O)Nc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C15H14N2O4/c1-21-13-4-2-3-12(9-13)17-15(20)16-11-7-5-10(6-8-11)14(18)19/h2-9H,1H3,(H,18,19)(H2,16,17,20)
InChIKeyPYUFIBQDSKUQSB-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.04
Rot. Bonds4

About 4-[(3-methoxyphenyl)carbamoylamino]benzoic acid

4-[(3-methoxyphenyl)carbamoylamino]benzoic acid (PubChem CID 4286151) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)carbamoylamino]benzoic acid
PubChem CID4286151
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name4-[(3-methoxyphenyl)carbamoylamino]benzoic acid
SMILESCOc1cccc(NC(=O)Nc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C15H14N2O4/c1-21-13-4-2-3-12(9-13)17-15(20)16-11-7-5-10(6-8-11)14(18)19/h2-9H,1H3,(H,18,19)(H2,16,17,20)
InChIKeyPYUFIBQDSKUQSB-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

1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
4-[(3-methoxyphenyl)carbamoylamino]-N-methylbenzamide
CID 17180805
4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid
CID 108869139
4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180581
1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea
CID 155694037
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
3-methoxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 18153307
1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 108895444
4-[2-(3-methoxyphenoxy)propanoylamino]benzoic acid
CID 43905180
1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)urea
CID 139434076
1-(3-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 48740743
6-[(3-methoxyphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 63642574

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)carbamoylamino]benzoic acid?
The IUPAC name of 4-[(3-methoxyphenyl)carbamoylamino]benzoic acid (CID 4286151) is 4-[(3-methoxyphenyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 4-[(3-methoxyphenyl)carbamoylamino]benzoic acid?
The canonical SMILES for 4-[(3-methoxyphenyl)carbamoylamino]benzoic acid is COc1cccc(NC(=O)Nc2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)carbamoylamino]benzoic acid?
The InChIKey is PYUFIBQDSKUQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-21-13-4-2-3-12(9-13)17-15(20)16-11-7-5-10(6-8-11)14(18)19/h2-9H,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[(3-methoxyphenyl)carbamoylamino]benzoic acid?
4-[(3-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-[(3-methoxyphenyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 4286151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).