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

C18H19BrN2O — CID 73168268

IUPAC2-bromo-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
SMILESO=C(NCC1CCCN1c1ccccc1)c1ccccc1Br
InChIInChI=1S/C18H19BrN2O/c19-17-11-5-4-10-16(17)18(22)20-13-15-9-6-12-21(15)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,20,22)
InChIKeyKMGJLKRVCIFIEB-UHFFFAOYSA-N
MW359.27 g/mol
LogP3.85
Rot. Bonds4

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

2-bromo-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide (PubChem CID 73168268) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is 2-bromo-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
PubChem CID73168268
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC Name2-bromo-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
SMILESO=C(NCC1CCCN1c1ccccc1)c1ccccc1Br
InChIInChI=1S/C18H19BrN2O/c19-17-11-5-4-10-16(17)18(22)20-13-15-9-6-12-21(15)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,20,22)
InChIKeyKMGJLKRVCIFIEB-UHFFFAOYSA-N
XLogP3.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-methoxy-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 90619796
N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide
CID 99883062
2-methylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 90619767
2-ethylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 90619780
3-(2-bromophenyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]propanamide
CID 72719282
N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide
CID 99903438
6-methyl-5-[(1-phenylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 154868469
3,4-difluoro-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 72719264
3,4-difluoro-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]benzamide
CID 99903473
2-cyclopentyl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619739
2-(2-chlorophenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99883040
1-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide
CID 90619862

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of 2-bromo-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide (CID 73168268) is 2-bromo-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide is O=C(NCC1CCCN1c1ccccc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide?
The InChIKey is KMGJLKRVCIFIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O/c19-17-11-5-4-10-16(17)18(22)20-13-15-9-6-12-21(15)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,20,22).
What are the key properties of 2-bromo-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide?
2-bromo-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide has a molecular weight of 359.27 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 73168268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).