4-bromo-N-(1-ethylcyclopropyl)benzamide

C12H14BrNO — CID 131025860

IUPAC4-bromo-N-(1-ethylcyclopropyl)benzamide
SMILESCCC1(NC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H14BrNO/c1-2-12(7-8-12)14-11(15)9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3,(H,14,15)
InChIKeyMKWNJYVPPDPXNR-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.12
Rot. Bonds3

About 4-bromo-N-(1-ethylcyclopropyl)benzamide

4-bromo-N-(1-ethylcyclopropyl)benzamide (PubChem CID 131025860) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 4-bromo-N-(1-ethylcyclopropyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(1-ethylcyclopropyl)benzamide
PubChem CID131025860
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name4-bromo-N-(1-ethylcyclopropyl)benzamide
SMILESCCC1(NC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H14BrNO/c1-2-12(7-8-12)14-11(15)9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3,(H,14,15)
InChIKeyMKWNJYVPPDPXNR-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dibromo-N-(1-ethylcyclobutyl)benzamide
CID 107980571
4-bromo-N-(1-ethylcyclobutyl)-3-hydroxybenzamide
CID 113358588
3-bromo-N-(1-ethylcyclobutyl)-4-methylbenzamide
CID 115673069
6-bromo-N-[1-(hydroxymethyl)cyclopropyl]naphthalene-2-carboxamide
CID 113344700
N-(2-amino-2-methylpropyl)-4-bromobenzamide
CID 81482664
4-bromo-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65111325
5-bromo-N-(1-ethylcyclobutyl)furan-3-carboxamide
CID 130978943
3-amino-N-(1-ethylcyclobutyl)-4-methylbenzamide
CID 113266948
4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79350622
4-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]benzamide
CID 115267378
4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide
CID 115877703
4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119615

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-ethylcyclopropyl)benzamide?
The IUPAC name of 4-bromo-N-(1-ethylcyclopropyl)benzamide (CID 131025860) is 4-bromo-N-(1-ethylcyclopropyl)benzamide.
What is the SMILES notation for 4-bromo-N-(1-ethylcyclopropyl)benzamide?
The canonical SMILES for 4-bromo-N-(1-ethylcyclopropyl)benzamide is CCC1(NC(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-bromo-N-(1-ethylcyclopropyl)benzamide?
The InChIKey is MKWNJYVPPDPXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-2-12(7-8-12)14-11(15)9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3,(H,14,15).
What are the key properties of 4-bromo-N-(1-ethylcyclopropyl)benzamide?
4-bromo-N-(1-ethylcyclopropyl)benzamide has a molecular weight of 268.15 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-ethylcyclopropyl)benzamide is sourced from PubChem (CID 131025860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).