4-chloro-2-(cyclopropylcarbamoylamino)benzoic acid

C11H11ClN2O3 — CID 61187742

IUPAC4-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
SMILESO=C(Nc1cc(Cl)ccc1C(=O)O)NC1CC1
InChIInChI=1S/C11H11ClN2O3/c12-6-1-4-8(10(15)16)9(5-6)14-11(17)13-7-2-3-7/h1,4-5,7H,2-3H2,(H,15,16)(H2,13,14,17)
InChIKeyJRZFSSXPABGKDQ-UHFFFAOYSA-N
MW254.67 g/mol
LogP2.32
Rot. Bonds3

About 4-chloro-2-(cyclopropylcarbamoylamino)benzoic acid

4-chloro-2-(cyclopropylcarbamoylamino)benzoic acid (PubChem CID 61187742) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 4-chloro-2-(cyclopropylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
PubChem CID61187742
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name4-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
SMILESO=C(Nc1cc(Cl)ccc1C(=O)O)NC1CC1
InChIInChI=1S/C11H11ClN2O3/c12-6-1-4-8(10(15)16)9(5-6)14-11(17)13-7-2-3-7/h1,4-5,7H,2-3H2,(H,15,16)(H2,13,14,17)
InChIKeyJRZFSSXPABGKDQ-UHFFFAOYSA-N
XLogP2.32
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61186634
1-(2-carbamothioyl-5-chlorophenyl)-3-cyclopropylurea
CID 64920032
2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid
CID 113304992
4-chloro-2-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 106258228
1-(5-chloro-2-fluorophenyl)-3-(4-hydroxycyclohexyl)urea
CID 110890882
1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576
1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea
CID 47103534
4-amino-2-(cyclohexylcarbamoylamino)benzoic acid
CID 63116079
4-chloro-2-[(4-methylcyclohexyl)amino]benzoic acid
CID 63510691
cis-(1R,3S)-3-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319305
1-(2,4-dichlorophenyl)-3-(4-methylcyclohexyl)urea
CID 51421854
4-chloro-2-[[cyclopropyl(ethyl)carbamoyl]amino]benzoic acid
CID 61194119

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyclopropylcarbamoylamino)benzoic acid?
The IUPAC name of 4-chloro-2-(cyclopropylcarbamoylamino)benzoic acid (CID 61187742) is 4-chloro-2-(cyclopropylcarbamoylamino)benzoic acid.
What is the SMILES notation for 4-chloro-2-(cyclopropylcarbamoylamino)benzoic acid?
The canonical SMILES for 4-chloro-2-(cyclopropylcarbamoylamino)benzoic acid is O=C(Nc1cc(Cl)ccc1C(=O)O)NC1CC1.
What is the InChIKey of 4-chloro-2-(cyclopropylcarbamoylamino)benzoic acid?
The InChIKey is JRZFSSXPABGKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c12-6-1-4-8(10(15)16)9(5-6)14-11(17)13-7-2-3-7/h1,4-5,7H,2-3H2,(H,15,16)(H2,13,14,17).
What are the key properties of 4-chloro-2-(cyclopropylcarbamoylamino)benzoic acid?
4-chloro-2-(cyclopropylcarbamoylamino)benzoic acid has a molecular weight of 254.67 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclopropylcarbamoylamino)benzoic acid is sourced from PubChem (CID 61187742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).