N-(4-bromo-2-cyclopropylphenyl)acetamide

C11H12BrNO — CID 70079841

IUPACN-(4-bromo-2-cyclopropylphenyl)acetamide
SMILESCC(=O)Nc1ccc(Br)cc1C1CC1
InChIInChI=1S/C11H12BrNO/c1-7(14)13-11-5-4-9(12)6-10(11)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,13,14)
InChIKeyBXEGWNMWRYXKAQ-UHFFFAOYSA-N
MW254.13 g/mol
LogP3.28
Rot. Bonds2

About N-(4-bromo-2-cyclopropylphenyl)acetamide

N-(4-bromo-2-cyclopropylphenyl)acetamide (PubChem CID 70079841) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is N-(4-bromo-2-cyclopropylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-cyclopropylphenyl)acetamide
PubChem CID70079841
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC NameN-(4-bromo-2-cyclopropylphenyl)acetamide
SMILESCC(=O)Nc1ccc(Br)cc1C1CC1
InChIInChI=1S/C11H12BrNO/c1-7(14)13-11-5-4-9(12)6-10(11)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,13,14)
InChIKeyBXEGWNMWRYXKAQ-UHFFFAOYSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-acetamido-3-cyclopropylbenzoic acid
CID 167726350
N-(4-bromo-2-cyclooctylphenyl)-2,2-dimethylpropanamide
CID 143191050
N-(2-acetamido-5-bromophenyl)piperidine-4-carboxamide;hydrochloride
CID 119308213
N-[4-bromo-2-(3-methylsulfanyl-6-oxo-2,5-dihydro-1H-1,2,4-triazin-5-yl)phenyl]acetamide
CID 56688664
N-[4-bromo-2-[[(4-hydroxycyclohexyl)amino]methyl]phenyl]acetamide
CID 163885708
N-[(1S)-6-bromo-3-oxo-1,2-dihydroinden-1-yl]acetamide
CID 91358406
4-(5-bromo-2-methylphenyl)cyclohexan-1-ol
CID 116963289
N-[5-bromo-2-(dimethylamino)phenyl]acetamide
CID 60651446
N-[5-bromo-2-[[(1R)-4-bromocyclohexa-2,4-dien-1-yl]amino]phenyl]acetamide
CID 143828828
potassium 2-acetamido-4-bromobenzoate
CID 170782729
3-cyclopropyl-4-(methylamino)benzoic acid
CID 176970275
N-(5-bromo-2-phenylphenyl)acetamide
CID 139240765

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-cyclopropylphenyl)acetamide?
The IUPAC name of N-(4-bromo-2-cyclopropylphenyl)acetamide (CID 70079841) is N-(4-bromo-2-cyclopropylphenyl)acetamide.
What is the SMILES notation for N-(4-bromo-2-cyclopropylphenyl)acetamide?
The canonical SMILES for N-(4-bromo-2-cyclopropylphenyl)acetamide is CC(=O)Nc1ccc(Br)cc1C1CC1.
What is the InChIKey of N-(4-bromo-2-cyclopropylphenyl)acetamide?
The InChIKey is BXEGWNMWRYXKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-7(14)13-11-5-4-9(12)6-10(11)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,13,14).
What are the key properties of N-(4-bromo-2-cyclopropylphenyl)acetamide?
N-(4-bromo-2-cyclopropylphenyl)acetamide has a molecular weight of 254.13 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-cyclopropylphenyl)acetamide is sourced from PubChem (CID 70079841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).