4-chloro-2-[[cyclopropyl(ethyl)carbamoyl]amino]benzoic acid

C13H15ClN2O3 — CID 61194119

IUPAC4-chloro-2-[[cyclopropyl(ethyl)carbamoyl]amino]benzoic acid
SMILESCCN(C(=O)Nc1cc(Cl)ccc1C(=O)O)C1CC1
InChIInChI=1S/C13H15ClN2O3/c1-2-16(9-4-5-9)13(19)15-11-7-8(14)3-6-10(11)12(17)18/h3,6-7,9H,2,4-5H2,1H3,(H,15,19)(H,17,18)
InChIKeyRZQDJUMURREIAH-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.05
Rot. Bonds4

About 4-chloro-2-[[cyclopropyl(ethyl)carbamoyl]amino]benzoic acid

4-chloro-2-[[cyclopropyl(ethyl)carbamoyl]amino]benzoic acid (PubChem CID 61194119) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 4-chloro-2-[[cyclopropyl(ethyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[[cyclopropyl(ethyl)carbamoyl]amino]benzoic acid
PubChem CID61194119
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name4-chloro-2-[[cyclopropyl(ethyl)carbamoyl]amino]benzoic acid
SMILESCCN(C(=O)Nc1cc(Cl)ccc1C(=O)O)C1CC1
InChIInChI=1S/C13H15ClN2O3/c1-2-16(9-4-5-9)13(19)15-11-7-8(14)3-6-10(11)12(17)18/h3,6-7,9H,2,4-5H2,1H3,(H,15,19)(H,17,18)
InChIKeyRZQDJUMURREIAH-UHFFFAOYSA-N
XLogP3.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 61194866
4-chloro-2-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 61452738
1-(4-aminocyclohexyl)-3-(2,5-dichlorophenyl)-1-ethylurea
CID 79113332
4-chloro-2-[[ethyl(2-methylpropyl)carbamoyl]amino]benzoic acid
CID 61194941
4-chloro-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]benzoic acid
CID 79379273
4-chloro-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 61447781
4-chloro-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid
CID 113426178
2-[[cyclopentyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 61405932
4-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61187742
2-[[cyclopropyl(propyl)carbamoyl]amino]-4-methoxybenzoic acid
CID 115412060
3-(2,5-dichlorophenyl)-1-ethyl-1-piperidin-3-ylurea
CID 63636758
4-[[cyclopropyl(ethyl)carbamoyl]amino]-3-methylbenzoic acid
CID 61196555

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[cyclopropyl(ethyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 4-chloro-2-[[cyclopropyl(ethyl)carbamoyl]amino]benzoic acid (CID 61194119) is 4-chloro-2-[[cyclopropyl(ethyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[[cyclopropyl(ethyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[[cyclopropyl(ethyl)carbamoyl]amino]benzoic acid is CCN(C(=O)Nc1cc(Cl)ccc1C(=O)O)C1CC1.
What is the InChIKey of 4-chloro-2-[[cyclopropyl(ethyl)carbamoyl]amino]benzoic acid?
The InChIKey is RZQDJUMURREIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-2-16(9-4-5-9)13(19)15-11-7-8(14)3-6-10(11)12(17)18/h3,6-7,9H,2,4-5H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-chloro-2-[[cyclopropyl(ethyl)carbamoyl]amino]benzoic acid?
4-chloro-2-[[cyclopropyl(ethyl)carbamoyl]amino]benzoic acid has a molecular weight of 282.73 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[cyclopropyl(ethyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 61194119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).