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

C14H17ClN2O3 — CID 63722427

IUPAC2-chloro-6-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoic acid
SMILESCCC1(C(=O)Nc2cccc(Cl)c2C(=O)O)CCNC1
InChIInChI=1S/C14H17ClN2O3/c1-2-14(6-7-16-8-14)13(20)17-10-5-3-4-9(15)11(10)12(18)19/h3-5,16H,2,6-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyXBXDKFDZBPHEKJ-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.37
Rot. Bonds4

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

2-chloro-6-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoic acid (PubChem CID 63722427) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-chloro-6-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoic acid
PubChem CID63722427
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-chloro-6-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoic acid
SMILESCCC1(C(=O)Nc2cccc(Cl)c2C(=O)O)CCNC1
InChIInChI=1S/C14H17ClN2O3/c1-2-14(6-7-16-8-14)13(20)17-10-5-3-4-9(15)11(10)12(18)19/h3-5,16H,2,6-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyXBXDKFDZBPHEKJ-UHFFFAOYSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid
CID 63724976
2-chloro-6-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63723107
N-(2,3-dichlorophenyl)-3-ethylpiperidine-3-carboxamide
CID 55179344
2-[2-[(3-ethylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 63142475
N-(2,3-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63143656
N-[2-chloro-6-(trifluoromethyl)phenyl]-3-ethylpyrrolidine-3-carboxamide
CID 63138744
N-(2-cyano-3-fluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63138813
N-(2,3-dichlorophenyl)-3-propylpiperidine-3-carboxamide
CID 63132539
4-[(3-ethylpyrrolidine-3-carbonyl)amino]-3-fluorobenzoic acid
CID 63187702
N-[5-chloro-2-(dimethylamino)phenyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139572
3-ethyl-N-(3-ethylphenyl)pyrrolidine-3-carboxamide
CID 55165902
N-(2-chloro-4-fluorophenyl)-4-ethylpiperidine-4-carboxamide
CID 55177203

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 2-chloro-6-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoic acid (CID 63722427) is 2-chloro-6-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-6-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoic acid is CCC1(C(=O)Nc2cccc(Cl)c2C(=O)O)CCNC1.
What is the InChIKey of 2-chloro-6-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoic acid?
The InChIKey is XBXDKFDZBPHEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-2-14(6-7-16-8-14)13(20)17-10-5-3-4-9(15)11(10)12(18)19/h3-5,16H,2,6-8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-chloro-6-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoic acid?
2-chloro-6-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoic acid has a molecular weight of 296.75 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 63722427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).