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

C14H11ClN2O3 — CID 2989360

IUPAC3-[(4-chlorophenyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C14H11ClN2O3/c15-10-4-6-11(7-5-10)16-14(20)17-12-3-1-2-9(8-12)13(18)19/h1-8H,(H,18,19)(H2,16,17,20)
InChIKeyQZVLALCHSFACLK-UHFFFAOYSA-N
MW290.71 g/mol
LogP3.68
Rot. Bonds3

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

3-[(4-chlorophenyl)carbamoylamino]benzoic acid (PubChem CID 2989360) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name3-[(4-chlorophenyl)carbamoylamino]benzoic acid
PubChem CID2989360
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name3-[(4-chlorophenyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C14H11ClN2O3/c15-10-4-6-11(7-5-10)16-14(20)17-12-3-1-2-9(8-12)13(18)19/h1-8H,(H,18,19)(H2,16,17,20)
InChIKeyQZVLALCHSFACLK-UHFFFAOYSA-N
XLogP3.68
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-{[(3,4-Dichlorophenyl)carbamoyl]amino}benzoic acid
CID 4102909
1-(2-Carboxyphenyl)-3-(3-chlorophenyl)urea
CID 853792
SB-409513
CID 448008
Methyl 3-{[(4-chloroanilino)carbonyl]amino}benzoate
CID 2806336
1-(2-Carboxyphenyl)-3-(4-chlorophenyl)urea
CID 853791
3-(Phenylamino)benzoic acid
CID 12850341
4'-Chlorophthalanilic acid
CID 238009
2-{[(3,5-Dichlorophenyl)carbamoyl]amino}benzoic acid
CID 44631845
3-{[(4-Methylphenyl)carbamoyl]amino}benzoic acid
CID 4061431
Methyl 3-[(2,4-dichlorophenyl)carbamoylamino]benzoate
CID 2806337
Methyl 3-[(2-chlorobenzoyl)carbamoylamino]benzoate
CID 2806346
Methyl 3-{[(2-chloroanilino)carbothioyl]amino}benzoate
CID 2806369

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)carbamoylamino]benzoic acid?
The IUPAC name of 3-[(4-chlorophenyl)carbamoylamino]benzoic acid (CID 2989360) is 3-[(4-chlorophenyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 3-[(4-chlorophenyl)carbamoylamino]benzoic acid?
The canonical SMILES for 3-[(4-chlorophenyl)carbamoylamino]benzoic acid is O=C(Nc1ccc(Cl)cc1)Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(4-chlorophenyl)carbamoylamino]benzoic acid?
The InChIKey is QZVLALCHSFACLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c15-10-4-6-11(7-5-10)16-14(20)17-12-3-1-2-9(8-12)13(18)19/h1-8H,(H,18,19)(H2,16,17,20).
What are the key properties of 3-[(4-chlorophenyl)carbamoylamino]benzoic acid?
3-[(4-chlorophenyl)carbamoylamino]benzoic acid has a molecular weight of 290.71 g/mol, XLogP of 3.68, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 2989360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).