2-chloro-6-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid

C13H15ClN2O3 — CID 102779465

IUPAC2-chloro-6-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
SMILESCC1CCNC1C(=O)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C13H15ClN2O3/c1-7-5-6-15-11(7)12(17)16-9-4-2-3-8(14)10(9)13(18)19/h2-4,7,11,15H,5-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyFTJDULSQBSZVBY-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.97
Rot. Bonds3

About 2-chloro-6-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid

2-chloro-6-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid (PubChem CID 102779465) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-chloro-6-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
PubChem CID102779465
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name2-chloro-6-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
SMILESCC1CCNC1C(=O)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C13H15ClN2O3/c1-7-5-6-15-11(7)12(17)16-9-4-2-3-8(14)10(9)13(18)19/h2-4,7,11,15H,5-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyFTJDULSQBSZVBY-UHFFFAOYSA-N
XLogP1.97
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779613
N-[2-(dimethylamino)phenyl]-3-methylpyrrolidine-2-carboxamide
CID 102778094
N-(2-methoxyphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102776806
3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 102778235
3-methyl-N-(2-propylphenyl)pyrrolidine-2-carboxamide
CID 102777801
5-methyl-2-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102778964
N-(2-bromo-4-chlorophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779794
4-chloro-3-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 107067888
3-fluoro-4-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102779420
N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777091
2-chloro-6-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
CID 113467374
N-(2-bromo-3-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 107068466

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 2-chloro-6-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid (CID 102779465) is 2-chloro-6-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-6-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid is CC1CCNC1C(=O)Nc1cccc(Cl)c1C(=O)O.
What is the InChIKey of 2-chloro-6-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid?
The InChIKey is FTJDULSQBSZVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-7-5-6-15-11(7)12(17)16-9-4-2-3-8(14)10(9)13(18)19/h2-4,7,11,15H,5-6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-chloro-6-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid?
2-chloro-6-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid has a molecular weight of 282.73 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 102779465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).