3-bromo-N-cyclopropyl-N-ethylbenzamide

C12H14BrNO — CID 43243353

IUPAC3-bromo-N-cyclopropyl-N-ethylbenzamide
SMILESCCN(C(=O)c1cccc(Br)c1)C1CC1
InChIInChI=1S/C12H14BrNO/c1-2-14(11-6-7-11)12(15)9-4-3-5-10(13)8-9/h3-5,8,11H,2,6-7H2,1H3
InChIKeyGABPKGCYSDLMBR-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.07
Rot. Bonds3

About 3-bromo-N-cyclopropyl-N-ethylbenzamide

3-bromo-N-cyclopropyl-N-ethylbenzamide (PubChem CID 43243353) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-N-ethylbenzamide.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-N-ethylbenzamide
PubChem CID43243353
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name3-bromo-N-cyclopropyl-N-ethylbenzamide
SMILESCCN(C(=O)c1cccc(Br)c1)C1CC1
InChIInChI=1S/C12H14BrNO/c1-2-14(11-6-7-11)12(15)9-4-3-5-10(13)8-9/h3-5,8,11H,2,6-7H2,1H3
InChIKeyGABPKGCYSDLMBR-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 63394655
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CID 60954447
N-[(4-aminophenyl)methyl]-3-bromo-N-cyclopropylbenzamide
CID 43460527
3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 51889465
1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone
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3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide
CID 103841594
3-bromo-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]benzamide
CID 93318244
3-bromo-N-cyclopentyl-N-methylbenzamide
CID 43213208
3-bromo-N-cyclohexyl-N-methylbenzamide
CID 19166286
3-bromo-N-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
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CID 79116189

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-N-ethylbenzamide?
The IUPAC name of 3-bromo-N-cyclopropyl-N-ethylbenzamide (CID 43243353) is 3-bromo-N-cyclopropyl-N-ethylbenzamide.
What is the SMILES notation for 3-bromo-N-cyclopropyl-N-ethylbenzamide?
The canonical SMILES for 3-bromo-N-cyclopropyl-N-ethylbenzamide is CCN(C(=O)c1cccc(Br)c1)C1CC1.
What is the InChIKey of 3-bromo-N-cyclopropyl-N-ethylbenzamide?
The InChIKey is GABPKGCYSDLMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-2-14(11-6-7-11)12(15)9-4-3-5-10(13)8-9/h3-5,8,11H,2,6-7H2,1H3.
What are the key properties of 3-bromo-N-cyclopropyl-N-ethylbenzamide?
3-bromo-N-cyclopropyl-N-ethylbenzamide has a molecular weight of 268.15 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopropyl-N-ethylbenzamide is sourced from PubChem (CID 43243353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).