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

C14H19BrN2O — CID 3919173

IUPAC4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
SMILESCCN1CCCC1CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O/c1-2-17-9-3-4-13(17)10-16-14(18)11-5-7-12(15)8-6-11/h5-8,13H,2-4,9-10H2,1H3,(H,16,18)
InChIKeyYHJBVWOVCNSJRL-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.66
Rot. Bonds4

About 4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide

4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide (PubChem CID 3919173) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
PubChem CID3919173
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
SMILESCCN1CCCC1CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O/c1-2-17-9-3-4-13(17)10-16-14(18)11-5-7-12(15)8-6-11/h5-8,13H,2-4,9-10H2,1H3,(H,16,18)
InChIKeyYHJBVWOVCNSJRL-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide
CID 62248150
4-(diethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]benzamide
CID 8839766
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 8839764
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62165372
2-(4-bromophenoxy)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 9087668
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107021319
3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 61089853
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 92895804
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide
CID 8839724
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 43411282
2-[4-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]phenyl]-N,N-dimethylbenzamide
CID 126426041

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of 4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide (CID 3919173) is 4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for 4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for 4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide is CCN1CCCC1CNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide?
The InChIKey is YHJBVWOVCNSJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-2-17-9-3-4-13(17)10-16-14(18)11-5-7-12(15)8-6-11/h5-8,13H,2-4,9-10H2,1H3,(H,16,18).
What are the key properties of 4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide?
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide has a molecular weight of 311.22 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 3919173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).