5-chloro-2-[(3-propylpyrrolidine-3-carbonyl)amino]benzoic acid

C15H19ClN2O3 — CID 63143879

IUPAC5-chloro-2-[(3-propylpyrrolidine-3-carbonyl)amino]benzoic acid
SMILESCCCC1(C(=O)Nc2ccc(Cl)cc2C(=O)O)CCNC1
InChIInChI=1S/C15H19ClN2O3/c1-2-5-15(6-7-17-9-15)14(21)18-12-4-3-10(16)8-11(12)13(19)20/h3-4,8,17H,2,5-7,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyXIZNNPLOOSFUNW-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.76
Rot. Bonds5

About 5-chloro-2-[(3-propylpyrrolidine-3-carbonyl)amino]benzoic acid

5-chloro-2-[(3-propylpyrrolidine-3-carbonyl)amino]benzoic acid (PubChem CID 63143879) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 5-chloro-2-[(3-propylpyrrolidine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[(3-propylpyrrolidine-3-carbonyl)amino]benzoic acid
PubChem CID63143879
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name5-chloro-2-[(3-propylpyrrolidine-3-carbonyl)amino]benzoic acid
SMILESCCCC1(C(=O)Nc2ccc(Cl)cc2C(=O)O)CCNC1
InChIInChI=1S/C15H19ClN2O3/c1-2-5-15(6-7-17-9-15)14(21)18-12-4-3-10(16)8-11(12)13(19)20/h3-4,8,17H,2,5-7,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyXIZNNPLOOSFUNW-UHFFFAOYSA-N
XLogP2.76
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
CID 81271547
N-(5-chloro-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63140833
N-(4-chloro-2-iodophenyl)-3-propylpiperidine-3-carboxamide
CID 107625392
3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
CID 63140733
5-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131916
N-(2-chloro-4-iodophenyl)-3-propylpyrrolidine-3-carboxamide
CID 63140297
3-propyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 63132688
N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139935
N-(3-carbamoyl-4-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139068
N-(2,4-dimethoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63141186
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-5-chlorobenzoic acid
CID 115439336
5-bromo-2-[(4-ethylpiperidine-4-carbonyl)amino]benzoic acid
CID 63128962

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3-propylpyrrolidine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 5-chloro-2-[(3-propylpyrrolidine-3-carbonyl)amino]benzoic acid (CID 63143879) is 5-chloro-2-[(3-propylpyrrolidine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[(3-propylpyrrolidine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[(3-propylpyrrolidine-3-carbonyl)amino]benzoic acid is CCCC1(C(=O)Nc2ccc(Cl)cc2C(=O)O)CCNC1.
What is the InChIKey of 5-chloro-2-[(3-propylpyrrolidine-3-carbonyl)amino]benzoic acid?
The InChIKey is XIZNNPLOOSFUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-2-5-15(6-7-17-9-15)14(21)18-12-4-3-10(16)8-11(12)13(19)20/h3-4,8,17H,2,5-7,9H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 5-chloro-2-[(3-propylpyrrolidine-3-carbonyl)amino]benzoic acid?
5-chloro-2-[(3-propylpyrrolidine-3-carbonyl)amino]benzoic acid has a molecular weight of 310.78 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3-propylpyrrolidine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 63143879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).