2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide

C18H19ClN2O — CID 42957578

IUPAC2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCC1CCN(c2ccccc2)C1)c1ccccc1Cl
InChIInChI=1S/C18H19ClN2O/c19-17-9-5-4-8-16(17)18(22)20-12-14-10-11-21(13-14)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,20,22)
InChIKeyLZIRGUAJHDHHEE-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.60
Rot. Bonds4

About 2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide

2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 42957578) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
PubChem CID42957578
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCC1CCN(c2ccccc2)C1)c1ccccc1Cl
InChIInChI=1S/C18H19ClN2O/c19-17-9-5-4-8-16(17)18(22)20-12-14-10-11-21(13-14)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,20,22)
InChIKeyLZIRGUAJHDHHEE-UHFFFAOYSA-N
XLogP3.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide 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

2-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1H-pyridine-3-carboxamide
CID 46403357
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 38442154
3-ethynyl-2-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 167781608
2-chloro-N-[4-methylsulfanyl-1-oxo-1-[(1-phenylpyrrolidin-3-yl)methylamino]butan-2-yl]benzamide
CID 55621795
2-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]furan-3-carboxamide
CID 38442503
2,5-dimethyl-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrole-3-carboxamide
CID 55678741
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylsulfonylbenzamide
CID 136579315
3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957565
2-bromo-4-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 55621618
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
3-(2,3-dichlorophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 46453922
2-[2-(dimethylamino)-2-oxoethoxy]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 46441531

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide (CID 42957578) is 2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide is O=C(NCC1CCN(c2ccccc2)C1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is LZIRGUAJHDHHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c19-17-9-5-4-8-16(17)18(22)20-12-14-10-11-21(13-14)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,20,22).
What are the key properties of 2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide?
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 314.82 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 42957578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).