N-butyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride

C15H23ClN2O — CID 119679273

IUPACN-butyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCCCN(C(=O)C1CCNC1)c1ccccc1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-2-3-11-17(14-7-5-4-6-8-14)15(18)13-9-10-16-12-13;/h4-8,13,16H,2-3,9-12H2,1H3;1H
InChIKeyZTILJBMLRPCPCQ-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.85
Rot. Bonds5

About N-butyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride

N-butyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119679273) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N-butyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-butyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID119679273
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN-butyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCCCN(C(=O)C1CCNC1)c1ccccc1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-2-3-11-17(14-7-5-4-6-8-14)15(18)13-9-10-16-12-13;/h4-8,13,16H,2-3,9-12H2,1H3;1H
InChIKeyZTILJBMLRPCPCQ-UHFFFAOYSA-N
XLogP2.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 119670332
2-[N-(pyrrolidine-3-carbonyl)anilino]acetic acid
CID 63007265
N-butyl-N-phenylpiperidine-2-carboxamide
CID 64587130
(2S)-N-butyl-N-phenylpiperidine-2-carboxamide
CID 104914056
N-[2-(dimethylamino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 119867193
3-[N-(piperidine-3-carbonyl)anilino]propanoic acid
CID 61160684
N-butyl-N-cyclopropylpyrrolidine-3-carboxamide
CID 63005582
N-ethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119706995
(2R,5S)-5-[butyl(phenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945334
N-butyl-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 70296770
N-ethyl-N-(3-fluorophenyl)pyrrolidine-3-carboxamide
CID 55149318
N,N-dipentylpyrrolidine-3-carboxamide
CID 63005585

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-butyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride (CID 119679273) is N-butyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-butyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-butyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride is CCCCN(C(=O)C1CCNC1)c1ccccc1.Cl.
What is the InChIKey of N-butyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is ZTILJBMLRPCPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-2-3-11-17(14-7-5-4-6-8-14)15(18)13-9-10-16-12-13;/h4-8,13,16H,2-3,9-12H2,1H3;1H.
What are the key properties of N-butyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride?
N-butyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119679273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).