2,2-dibromo-1-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide

C13H15Br2NO — CID 3109732

IUPAC2,2-dibromo-1-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(C)CC1(Br)Br)c1ccccc1
InChIInChI=1S/C13H15Br2NO/c1-9(10-6-4-3-5-7-10)16-11(17)12(2)8-13(12,14)15/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyIDVKVUZYDPROIM-UHFFFAOYSA-N
MW361.08 g/mol
LogP3.76
Rot. Bonds3

About 2,2-dibromo-1-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide

2,2-dibromo-1-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide (PubChem CID 3109732) has the molecular formula C13H15Br2NO and a molecular weight of 361.08 g/mol. Its IUPAC name is 2,2-dibromo-1-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dibromo-1-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide
PubChem CID3109732
Molecular FormulaC13H15Br2NO
Molecular Weight361.08 g/mol
Exact Mass358.95
IUPAC Name2,2-dibromo-1-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(C)CC1(Br)Br)c1ccccc1
InChIInChI=1S/C13H15Br2NO/c1-9(10-6-4-3-5-7-10)16-11(17)12(2)8-13(12,14)15/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyIDVKVUZYDPROIM-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.08
LogP ≤ 53.76
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

(1R)-2,2-dibromo-1-methyl-N-[(1S)-1-phenylethyl]cyclopropane-1-carboxamide
CID 7329878
(2R)-2-bromo-N-[(1S)-1-phenylethyl]spiro[2.5]octane-2-carboxamide
CID 10472173
1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 65465678
1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide
CID 68623726
1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide
CID 81169221
(1S,3S,5R)-3-(benzylcarbamoyl)-1,3,5-trimethyl-5-(1-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 101163038
1-(aminomethyl)-N-(1-phenylethyl)cyclopentane-1-carboxamide
CID 55037856
1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide
CID 80586699
3,5-dimethyl-N-(1-phenylethyl)adamantane-1-carboxamide
CID 112759840
1-cyano-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
CID 99703015
1-N-(2-methylpropyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108971193
3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 78952958

Frequently Asked Questions

What is the IUPAC name of 2,2-dibromo-1-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dibromo-1-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide (CID 3109732) is 2,2-dibromo-1-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dibromo-1-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dibromo-1-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide is CC(NC(=O)C1(C)CC1(Br)Br)c1ccccc1.
What is the InChIKey of 2,2-dibromo-1-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide?
The InChIKey is IDVKVUZYDPROIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2NO/c1-9(10-6-4-3-5-7-10)16-11(17)12(2)8-13(12,14)15/h3-7,9H,8H2,1-2H3,(H,16,17).
What are the key properties of 2,2-dibromo-1-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide?
2,2-dibromo-1-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide has a molecular weight of 361.08 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromo-1-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 3109732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).