N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide;hydrochloride

C25H25ClN2O2 — CID 138108901

IUPACN-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(c1ccccc1)c1ccccc1NC(=O)C1CCCN1Cc1ccccc1
InChIInChI=1S/C25H24N2O2.ClH/c28-24(20-12-5-2-6-13-20)21-14-7-8-15-22(21)26-25(29)23-16-9-17-27(23)18-19-10-3-1-4-11-19;/h1-8,10-15,23H,9,16-18H2,(H,26,29);1H
InChIKeyJKDDRPHJAVYMMQ-UHFFFAOYSA-N
MW420.94 g/mol
LogP4.94
Rot. Bonds6

About N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide;hydrochloride

N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 138108901) has the molecular formula C25H25ClN2O2 and a molecular weight of 420.94 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID138108901
Molecular FormulaC25H25ClN2O2
Molecular Weight420.94 g/mol
Exact Mass420.16
IUPAC NameN-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(c1ccccc1)c1ccccc1NC(=O)C1CCCN1Cc1ccccc1
InChIInChI=1S/C25H24N2O2.ClH/c28-24(20-12-5-2-6-13-20)21-14-7-8-15-22(21)26-25(29)23-16-9-17-27(23)18-19-10-3-1-4-11-19;/h1-8,10-15,23H,9,16-18H2,(H,26,29);1H
InChIKeyJKDDRPHJAVYMMQ-UHFFFAOYSA-N
XLogP4.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 51861391
1-benzyl-N-[2-(N-ethyl-C-phenylcarbonimidoyl)phenyl]pyrrolidine-2-carboxamide
CID 89270517
(2S)-N-(2-benzoylphenyl)-1-[(2-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide
CID 51354096
(2S)-N-(2-benzoyl-4-nitrophenyl)-1-benzylpyrrolidine-2-carboxamide
CID 11091271
(2S)-N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide;2-[[[2-[[[(2S)-1-benzylpyrrolidin-2-yl]-oxidomethylidene]amino]phenyl]-phenylmethylidene]amino]acetate;nickel(2+)
CID 164979649
(2R)-3-azido-2-[[[2-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]phenyl]-phenylmethylidene]amino]propanoic acid
CID 58427268
3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 97337283
(2R)-1-benzyl-N-(4-hydroxy-2-methylphenyl)pyrrolidine-2-carboxamide
CID 129392844
(2R)-2-[[[2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]phenyl]-phenylmethylidene]amino]-3-(2-methylphenyl)propanoic acid
CID 101111237
2-[[[2-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]-5-chlorophenyl]-phenylmethylidene]amino]acetic acid
CID 24987704
N-(2-benzoylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 614237
(2S,3S)-2-[[[2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]phenyl]-phenylmethylidene]amino]-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 10394714

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide;hydrochloride (CID 138108901) is N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(c1ccccc1)c1ccccc1NC(=O)C1CCCN1Cc1ccccc1.
What is the InChIKey of N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is JKDDRPHJAVYMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2.ClH/c28-24(20-12-5-2-6-13-20)21-14-7-8-15-22(21)26-25(29)23-16-9-17-27(23)18-19-10-3-1-4-11-19;/h1-8,10-15,23H,9,16-18H2,(H,26,29);1H.
What are the key properties of N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide;hydrochloride?
N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 420.94 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 138108901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).