N-(1-bromo-2-methylbutan-2-yl)-2-phenylcyclopropane-1-carboxamide

C15H20BrNO — CID 113275566

IUPACN-(1-bromo-2-methylbutan-2-yl)-2-phenylcyclopropane-1-carboxamide
SMILESCCC(C)(CBr)NC(=O)C1CC1c1ccccc1
InChIInChI=1S/C15H20BrNO/c1-3-15(2,10-16)17-14(18)13-9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3,(H,17,18)
InChIKeyRMJHEAKBHWNLGQ-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.47
Rot. Bonds5

About N-(1-bromo-2-methylbutan-2-yl)-2-phenylcyclopropane-1-carboxamide

N-(1-bromo-2-methylbutan-2-yl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 113275566) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is N-(1-bromo-2-methylbutan-2-yl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylbutan-2-yl)-2-phenylcyclopropane-1-carboxamide
PubChem CID113275566
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC NameN-(1-bromo-2-methylbutan-2-yl)-2-phenylcyclopropane-1-carboxamide
SMILESCCC(C)(CBr)NC(=O)C1CC1c1ccccc1
InChIInChI=1S/C15H20BrNO/c1-3-15(2,10-16)17-14(18)13-9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3,(H,17,18)
InChIKeyRMJHEAKBHWNLGQ-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1-bromo-2-methylbutan-2-yl)-2-phenylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)cyclopropane-1-carboxamide
CID 110002073
2,2,3-trimethyl-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]butanoic acid
CID 97234095
N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 79039782
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
N-(1-bromo-2-methylbutan-2-yl)cyclopentanecarboxamide
CID 114314310
N-(4-bromobutan-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 83180682
2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one
CID 76612897
cis-(1S,2R)-N-(pentan-3-ylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 840675
N-(1-bromo-2-phenylpropan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 105059964
N-methoxy-2-phenylcyclopropane-1-carboxamide
CID 72524749
2-(tert-butylamino)-1-(2-phenylcyclopropyl)ethanone
CID 116588801
N-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6104863

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylbutan-2-yl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(1-bromo-2-methylbutan-2-yl)-2-phenylcyclopropane-1-carboxamide (CID 113275566) is N-(1-bromo-2-methylbutan-2-yl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-bromo-2-methylbutan-2-yl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1-bromo-2-methylbutan-2-yl)-2-phenylcyclopropane-1-carboxamide is CCC(C)(CBr)NC(=O)C1CC1c1ccccc1.
What is the InChIKey of N-(1-bromo-2-methylbutan-2-yl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is RMJHEAKBHWNLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-3-15(2,10-16)17-14(18)13-9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-(1-bromo-2-methylbutan-2-yl)-2-phenylcyclopropane-1-carboxamide?
N-(1-bromo-2-methylbutan-2-yl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 310.23 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylbutan-2-yl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 113275566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).