2-chloro-6-[(3-methylcyclobutyl)carbamoylamino]benzoic acid

C13H15ClN2O3 — CID 113467374

IUPAC2-chloro-6-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
SMILESCC1CC(NC(=O)Nc2cccc(Cl)c2C(=O)O)C1
InChIInChI=1S/C13H15ClN2O3/c1-7-5-8(6-7)15-13(19)16-10-4-2-3-9(14)11(10)12(17)18/h2-4,7-8H,5-6H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyZMQYMBDABSYWDQ-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.96
Rot. Bonds3

About 2-chloro-6-[(3-methylcyclobutyl)carbamoylamino]benzoic acid

2-chloro-6-[(3-methylcyclobutyl)carbamoylamino]benzoic acid (PubChem CID 113467374) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-chloro-6-[(3-methylcyclobutyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
PubChem CID113467374
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name2-chloro-6-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
SMILESCC1CC(NC(=O)Nc2cccc(Cl)c2C(=O)O)C1
InChIInChI=1S/C13H15ClN2O3/c1-7-5-8(6-7)15-13(19)16-10-4-2-3-9(14)11(10)12(17)18/h2-4,7-8H,5-6H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyZMQYMBDABSYWDQ-UHFFFAOYSA-N
XLogP2.96
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-chloro-6-[(3-methylcyclobutyl)carbamoylamino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
CID 113467363
4-chloro-3-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
CID 113467373
2-chloro-6-[3-(cyclopropylamino)propylcarbamoylamino]benzoic acid
CID 63722452
2-chloro-6-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid
CID 63723631
2-chloro-6-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]benzoic acid
CID 63723980
2-chloro-6-[[cyclopropylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63724321
2-chloro-6-(5-methylhexan-2-ylcarbamoylamino)benzoic acid
CID 63925729
2-chloro-6-(4-methylpentan-2-ylcarbamoylamino)benzoic acid
CID 63723969
2-chloro-6-[[cyclopropyl(propyl)carbamoyl]amino]benzoic acid
CID 63723129
2-chloro-6-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102779465
2-chloro-6-(piperidine-1-carbonylamino)benzoic acid
CID 63722614
2-chloro-6-[[methyl(oxan-4-yl)carbamoyl]amino]benzoic acid
CID 63723469

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3-methylcyclobutyl)carbamoylamino]benzoic acid?
The IUPAC name of 2-chloro-6-[(3-methylcyclobutyl)carbamoylamino]benzoic acid (CID 113467374) is 2-chloro-6-[(3-methylcyclobutyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[(3-methylcyclobutyl)carbamoylamino]benzoic acid?
The canonical SMILES for 2-chloro-6-[(3-methylcyclobutyl)carbamoylamino]benzoic acid is CC1CC(NC(=O)Nc2cccc(Cl)c2C(=O)O)C1.
What is the InChIKey of 2-chloro-6-[(3-methylcyclobutyl)carbamoylamino]benzoic acid?
The InChIKey is ZMQYMBDABSYWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-7-5-8(6-7)15-13(19)16-10-4-2-3-9(14)11(10)12(17)18/h2-4,7-8H,5-6H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-chloro-6-[(3-methylcyclobutyl)carbamoylamino]benzoic acid?
2-chloro-6-[(3-methylcyclobutyl)carbamoylamino]benzoic acid has a molecular weight of 282.73 g/mol, XLogP of 2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3-methylcyclobutyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 113467374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).