3-(2-bromophenyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]propanamide

C20H23BrN2O — CID 72719282

IUPAC3-(2-bromophenyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]propanamide
SMILESO=C(CCc1ccccc1Br)NCC1CCCN1c1ccccc1
InChIInChI=1S/C20H23BrN2O/c21-19-11-5-4-7-16(19)12-13-20(24)22-15-18-10-6-14-23(18)17-8-2-1-3-9-17/h1-5,7-9,11,18H,6,10,12-15H2,(H,22,24)
InChIKeyMOWHJLWVJFEKQO-UHFFFAOYSA-N
MW387.32 g/mol
LogP4.17
Rot. Bonds6

About 3-(2-bromophenyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]propanamide

3-(2-bromophenyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]propanamide (PubChem CID 72719282) has the molecular formula C20H23BrN2O and a molecular weight of 387.32 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]propanamide
PubChem CID72719282
Molecular FormulaC20H23BrN2O
Molecular Weight387.32 g/mol
Exact Mass386.10
IUPAC Name3-(2-bromophenyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]propanamide
SMILESO=C(CCc1ccccc1Br)NCC1CCCN1c1ccccc1
InChIInChI=1S/C20H23BrN2O/c21-19-11-5-4-7-16(19)12-13-20(24)22-15-18-10-6-14-23(18)17-8-2-1-3-9-17/h1-5,7-9,11,18H,6,10,12-15H2,(H,22,24)
InChIKeyMOWHJLWVJFEKQO-UHFFFAOYSA-N
XLogP4.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylphenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]propanamide
CID 99883089
2-bromo-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 73168268
N-[(1-phenylpyrrolidin-2-yl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 90619835
2-ethoxy-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99903447
2-(2-chlorophenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99883040
2-naphthalen-1-yl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619918
2-cyclopentyl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619739
3-(2-methoxynaphthalen-1-yl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]propanamide
CID 99883088
N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide
CID 99903438
2-(1-adamantyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619858
2-(2-methoxyphenoxy)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99883057
N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 99883074

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]propanamide?
The IUPAC name of 3-(2-bromophenyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]propanamide (CID 72719282) is 3-(2-bromophenyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]propanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]propanamide is O=C(CCc1ccccc1Br)NCC1CCCN1c1ccccc1.
What is the InChIKey of 3-(2-bromophenyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]propanamide?
The InChIKey is MOWHJLWVJFEKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O/c21-19-11-5-4-7-16(19)12-13-20(24)22-15-18-10-6-14-23(18)17-8-2-1-3-9-17/h1-5,7-9,11,18H,6,10,12-15H2,(H,22,24).
What are the key properties of 3-(2-bromophenyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]propanamide?
3-(2-bromophenyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]propanamide has a molecular weight of 387.32 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]propanamide is sourced from PubChem (CID 72719282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).