N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride

C12H16ClN3O2 — CID 119270285

IUPACN-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cccc(NC(=O)C2CCCN2)c1
InChIInChI=1S/C12H15N3O2.ClH/c13-11(16)8-3-1-4-9(7-8)15-12(17)10-5-2-6-14-10;/h1,3-4,7,10,14H,2,5-6H2,(H2,13,16)(H,15,17);1H
InChIKeyJSIBTOPDZANPOM-UHFFFAOYSA-N
MW269.73 g/mol
LogP0.90
Rot. Bonds3

About N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride

N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119270285) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119270285
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC NameN-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cccc(NC(=O)C2CCCN2)c1
InChIInChI=1S/C12H15N3O2.ClH/c13-11(16)8-3-1-4-9(7-8)15-12(17)10-5-2-6-14-10;/h1,3-4,7,10,14H,2,5-6H2,(H2,13,16)(H,15,17);1H
InChIKeyJSIBTOPDZANPOM-UHFFFAOYSA-N
XLogP0.90
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 60711040
3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 104913517
(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
CID 22691460
3-(azepane-2-carbonylamino)benzoic acid
CID 64563826
5-[[(2R)-piperidine-2-carbonyl]amino]benzene-1,3-dicarboxamide
CID 104913671
(2S)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119269061
N-[3-(tert-butylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119283635
N-[3-[(3-amino-3-oxopropyl)carbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119318162
N-(3-carbamoylphenyl)-2-methylpiperidine-3-carboxamide
CID 107811444
N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119687667
N-(3-bromophenyl)piperidine-2-carboxamide
CID 18073202

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119270285) is N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride is Cl.NC(=O)c1cccc(NC(=O)C2CCCN2)c1.
What is the InChIKey of N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is JSIBTOPDZANPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2.ClH/c13-11(16)8-3-1-4-9(7-8)15-12(17)10-5-2-6-14-10;/h1,3-4,7,10,14H,2,5-6H2,(H2,13,16)(H,15,17);1H.
What are the key properties of N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 269.73 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119270285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).