3-chloro-5-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid

C15H19ClN2O3 — CID 107414471

IUPAC3-chloro-5-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid
SMILESCC1CCC(CNC(=O)Nc2cc(Cl)cc(C(=O)O)c2)C1
InChIInChI=1S/C15H19ClN2O3/c1-9-2-3-10(4-9)8-17-15(21)18-13-6-11(14(19)20)5-12(16)7-13/h5-7,9-10H,2-4,8H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyBWASHKRMPOGDHM-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.60
Rot. Bonds4

About 3-chloro-5-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid

3-chloro-5-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid (PubChem CID 107414471) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 3-chloro-5-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid.

Molecular Properties

Compound Name3-chloro-5-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid
PubChem CID107414471
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name3-chloro-5-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid
SMILESCC1CCC(CNC(=O)Nc2cc(Cl)cc(C(=O)O)c2)C1
InChIInChI=1S/C15H19ClN2O3/c1-9-2-3-10(4-9)8-17-15(21)18-13-6-11(14(19)20)5-12(16)7-13/h5-7,9-10H,2-4,8H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyBWASHKRMPOGDHM-UHFFFAOYSA-N
XLogP3.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-(cyclopropylmethylcarbamoylamino)benzene-1,3-dicarboxylic acid
CID 61183183
2-bromo-5-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid
CID 107414553
1-[[3-(aminomethyl)cyclohexyl]methyl]-3-(3,5-dichlorophenyl)urea;chloroethane
CID 142187477
1-[4-(1-aminoethyl)phenyl]-3-[(3-methylcyclopentyl)methyl]urea
CID 107415057
2-[4-[(3-methylcyclopentyl)methylcarbamoylamino]pyrazol-1-yl]acetic acid
CID 107414546
4,5-dimethyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]thiophene-3-carboxylic acid
CID 107414198
3,5-dichloro-2-(cyclopropylmethylcarbamoylamino)benzoic acid
CID 61182305
5-fluoro-2-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid
CID 107414704
1-[3-(1-hydroxyethyl)phenyl]-3-[(3-methylcyclopentyl)methyl]urea
CID 107415055
1-(cyclopropylmethyl)-3-(3,5-dimethylphenyl)urea
CID 5188255
3-[(3-methylcyclopentyl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 107414579
2-[(3-methylcyclopentyl)methylcarbamoylamino]oxyacetic acid
CID 107414533

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid?
The IUPAC name of 3-chloro-5-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid (CID 107414471) is 3-chloro-5-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid.
What is the SMILES notation for 3-chloro-5-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid?
The canonical SMILES for 3-chloro-5-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid is CC1CCC(CNC(=O)Nc2cc(Cl)cc(C(=O)O)c2)C1.
What is the InChIKey of 3-chloro-5-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid?
The InChIKey is BWASHKRMPOGDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-9-2-3-10(4-9)8-17-15(21)18-13-6-11(14(19)20)5-12(16)7-13/h5-7,9-10H,2-4,8H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 3-chloro-5-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid?
3-chloro-5-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid has a molecular weight of 310.78 g/mol, XLogP of 3.60, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid is sourced from PubChem (CID 107414471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).