3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide

C14H19BrN2O — CID 114793684

IUPAC3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
SMILESCc1ccc(C(=O)NCCC2CCCN2)cc1Br
InChIInChI=1S/C14H19BrN2O/c1-10-4-5-11(9-13(10)15)14(18)17-8-6-12-3-2-7-16-12/h4-5,9,12,16H,2-3,6-8H2,1H3,(H,17,18)
InChIKeyHNFCAYWNKAABSH-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.63
Rot. Bonds4

About 3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide

3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide (PubChem CID 114793684) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
PubChem CID114793684
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
SMILESCc1ccc(C(=O)NCCC2CCCN2)cc1Br
InChIInChI=1S/C14H19BrN2O/c1-10-4-5-11(9-13(10)15)14(18)17-8-6-12-3-2-7-16-12/h4-5,9,12,16H,2-3,6-8H2,1H3,(H,17,18)
InChIKeyHNFCAYWNKAABSH-UHFFFAOYSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 81472136
4-bromo-3-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955112
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]naphthalene-2-carboxamide
CID 104971760
2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971649
2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793749
N-(2-pyrrolidin-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 114793811
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-indole-6-carboxamide
CID 104971741
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-indole-5-carboxamide
CID 104971982
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 104972064
5-bromo-4-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]thiophene-2-carboxamide
CID 104955216
2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972061
3-fluoro-4-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955125

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide?
The IUPAC name of 3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide (CID 114793684) is 3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide.
What is the SMILES notation for 3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide?
The canonical SMILES for 3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide is Cc1ccc(C(=O)NCCC2CCCN2)cc1Br.
What is the InChIKey of 3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide?
The InChIKey is HNFCAYWNKAABSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10-4-5-11(9-13(10)15)14(18)17-8-6-12-3-2-7-16-12/h4-5,9,12,16H,2-3,6-8H2,1H3,(H,17,18).
What are the key properties of 3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide?
3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide has a molecular weight of 311.22 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide is sourced from PubChem (CID 114793684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).