2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide

C13H16BrNO — CID 43420538

IUPAC2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide
SMILESCC(C1CC1)N(C)C(=O)c1ccccc1Br
InChIInChI=1S/C13H16BrNO/c1-9(10-7-8-10)15(2)13(16)11-5-3-4-6-12(11)14/h3-6,9-10H,7-8H2,1-2H3
InChIKeyQHDAWMXFHGSJSF-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.32
Rot. Bonds3

About 2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide

2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide (PubChem CID 43420538) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide
PubChem CID43420538
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide
SMILESCC(C1CC1)N(C)C(=O)c1ccccc1Br
InChIInChI=1S/C13H16BrNO/c1-9(10-7-8-10)15(2)13(16)11-5-3-4-6-12(11)14/h3-6,9-10H,7-8H2,1-2H3
InChIKeyQHDAWMXFHGSJSF-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide
CID 113366949
N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)benzamide
CID 61375904
2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 60629066
1-(2-bromophenyl)-2-cyclopropylpropan-1-one
CID 101490237
N-(1-cyclopropylethyl)-2-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
CID 60815312
2-bromo-N-methyl-N-pentan-3-ylbenzamide
CID 43571450
N-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide
CID 42942380
4-amino-N-(1-cyclopropylethyl)-N-methylpyridine-3-carboxamide
CID 81242644
2-bromo-N-cycloheptyl-N-methylbenzamide
CID 43409214
5-chloro-N-(1-cyclopropylethyl)-2-fluoro-N-methylbenzamide
CID 60724229
5-bromo-2-chloro-N-(1-cyclopropylethyl)-N-methylpyridine-3-carboxamide
CID 62001192
4-chloro-N-(1-cyclopropylethyl)-2-hydroxy-N-methylbenzamide
CID 43420563

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide?
The IUPAC name of 2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide (CID 43420538) is 2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide?
The canonical SMILES for 2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide is CC(C1CC1)N(C)C(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide?
The InChIKey is QHDAWMXFHGSJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-9(10-7-8-10)15(2)13(16)11-5-3-4-6-12(11)14/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide?
2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide has a molecular weight of 282.18 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide is sourced from PubChem (CID 43420538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).