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

C15H19ClN2O3 — CID 63724976

IUPAC2-chloro-6-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid
SMILESCCC1(C(=O)Nc2cccc(Cl)c2C(=O)O)CCCNC1
InChIInChI=1S/C15H19ClN2O3/c1-2-15(7-4-8-17-9-15)14(21)18-11-6-3-5-10(16)12(11)13(19)20/h3,5-6,17H,2,4,7-9H2,1H3,(H,18,21)(H,19,20)
InChIKeyNHKWIDMZDWFNKI-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.76
Rot. Bonds4

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

2-chloro-6-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid (PubChem CID 63724976) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-chloro-6-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid
PubChem CID63724976
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name2-chloro-6-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid
SMILESCCC1(C(=O)Nc2cccc(Cl)c2C(=O)O)CCCNC1
InChIInChI=1S/C15H19ClN2O3/c1-2-15(7-4-8-17-9-15)14(21)18-11-6-3-5-10(16)12(11)13(19)20/h3,5-6,17H,2,4,7-9H2,1H3,(H,18,21)(H,19,20)
InChIKeyNHKWIDMZDWFNKI-UHFFFAOYSA-N
XLogP2.76
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

2-chloro-6-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63722427
N-(2,3-dichlorophenyl)-3-ethylpiperidine-3-carboxamide
CID 55179344
2-chloro-6-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63723107
N-(2,3-dichlorophenyl)-3-propylpiperidine-3-carboxamide
CID 63132539
3-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131356
N-[2-(dimethylamino)phenyl]-3-ethylpiperidine-3-carboxamide
CID 63131246
N-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63130400
N-(5-carbamoyl-2-chlorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63130126
N-(2,6-diethylphenyl)-3-ethylpiperidine-3-carboxamide
CID 63132509
3-ethyl-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide
CID 63131107
2-[2-[(3-ethylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 63142475
N-(2-ethoxy-3-pyridinyl)-3-ethylpiperidine-3-carboxamide
CID 63130921

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 2-chloro-6-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid (CID 63724976) is 2-chloro-6-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-6-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid is CCC1(C(=O)Nc2cccc(Cl)c2C(=O)O)CCCNC1.
What is the InChIKey of 2-chloro-6-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid?
The InChIKey is NHKWIDMZDWFNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-2-15(7-4-8-17-9-15)14(21)18-11-6-3-5-10(16)12(11)13(19)20/h3,5-6,17H,2,4,7-9H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-chloro-6-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid?
2-chloro-6-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid has a molecular weight of 310.78 g/mol, XLogP of 2.76, 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-ethylpiperidine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 63724976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).