N-(2-bromo-1-phenylethyl)cyclopropanecarboxamide

C12H14BrNO — CID 114311037

IUPACN-(2-bromo-1-phenylethyl)cyclopropanecarboxamide
SMILESO=C(NC(CBr)c1ccccc1)C1CC1
InChIInChI=1S/C12H14BrNO/c13-8-11(9-4-2-1-3-5-9)14-12(15)10-6-7-10/h1-5,10-11H,6-8H2,(H,14,15)
InChIKeyKTDKQOKQPYNSIA-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.65
Rot. Bonds4

About N-(2-bromo-1-phenylethyl)cyclopropanecarboxamide

N-(2-bromo-1-phenylethyl)cyclopropanecarboxamide (PubChem CID 114311037) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is N-(2-bromo-1-phenylethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-bromo-1-phenylethyl)cyclopropanecarboxamide
PubChem CID114311037
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC NameN-(2-bromo-1-phenylethyl)cyclopropanecarboxamide
SMILESO=C(NC(CBr)c1ccccc1)C1CC1
InChIInChI=1S/C12H14BrNO/c13-8-11(9-4-2-1-3-5-9)14-12(15)10-6-7-10/h1-5,10-11H,6-8H2,(H,14,15)
InChIKeyKTDKQOKQPYNSIA-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-1-phenylethyl)cyclobutanecarboxamide
CID 63184812
N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
CID 103945021
[(1R)-2-bromo-1-phenylethyl]carbamic acid
CID 146309654
N-(2-bromo-1-phenylethyl)-2-methylcyclopentane-1-carboxamide
CID 107184155
4-(1-phenylbutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120672295
4-(1-phenylbut-3-ynylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120674180
4-(1,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120674093
N-(2-bromo-1-phenylethyl)-1,1-dioxothiane-2-carboxamide
CID 104522404
N-[(1R)-2-hydroxy-1-phenylethyl]piperidine-4-carboxamide
CID 103951345
(3R)-3-(cyclohexanecarbonylamino)-3-phenylpropanoate
CID 8022396
N-(1-phenylpropyl)piperidine-4-carboxamide;hydrochloride
CID 119279862
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-1-phenylethyl)cyclopropanecarboxamide?
The IUPAC name of N-(2-bromo-1-phenylethyl)cyclopropanecarboxamide (CID 114311037) is N-(2-bromo-1-phenylethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-bromo-1-phenylethyl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-bromo-1-phenylethyl)cyclopropanecarboxamide is O=C(NC(CBr)c1ccccc1)C1CC1.
What is the InChIKey of N-(2-bromo-1-phenylethyl)cyclopropanecarboxamide?
The InChIKey is KTDKQOKQPYNSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c13-8-11(9-4-2-1-3-5-9)14-12(15)10-6-7-10/h1-5,10-11H,6-8H2,(H,14,15).
What are the key properties of N-(2-bromo-1-phenylethyl)cyclopropanecarboxamide?
N-(2-bromo-1-phenylethyl)cyclopropanecarboxamide has a molecular weight of 268.15 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-1-phenylethyl)cyclopropanecarboxamide is sourced from PubChem (CID 114311037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).