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

C14H18BrNO — CID 114308184

IUPACN-(1-bromo-2-methylpropan-2-yl)-1-phenylcyclopropane-1-carboxamide
SMILESCC(C)(CBr)NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C14H18BrNO/c1-13(2,10-15)16-12(17)14(8-9-14)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,16,17)
InChIKeyVPPCWOBLXGWDEL-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.01
Rot. Bonds4

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

N-(1-bromo-2-methylpropan-2-yl)-1-phenylcyclopropane-1-carboxamide (PubChem CID 114308184) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is N-(1-bromo-2-methylpropan-2-yl)-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylpropan-2-yl)-1-phenylcyclopropane-1-carboxamide
PubChem CID114308184
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC NameN-(1-bromo-2-methylpropan-2-yl)-1-phenylcyclopropane-1-carboxamide
SMILESCC(C)(CBr)NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C14H18BrNO/c1-13(2,10-15)16-12(17)14(8-9-14)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,16,17)
InChIKeyVPPCWOBLXGWDEL-UHFFFAOYSA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.01
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-(1-hydroxy-2-methylpropan-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 43500661
N-(1-amino-3-methylpentan-3-yl)-1-phenylcyclopropane-1-carboxamide
CID 106164789
N-[4-(2-adamantylamino)-2-methyl-4-oxobutan-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 54755819
N-[3-(aminomethyl)pentan-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 63765721
N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-phenylcyclopentane-1-carboxamide
CID 110476181
N-[[1-(bromomethyl)cyclopropyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 113313525
N-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide
CID 50941599
N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide
CID 110474016
1-(3-fluorophenyl)-N-(2-phenylpropan-2-yl)cyclopropane-1-carboxamide
CID 139815337
(2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid
CID 54432657
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
2-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-2-ethylbutanoic acid
CID 79813326

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-1-phenylcyclopropane-1-carboxamide (CID 114308184) is N-(1-bromo-2-methylpropan-2-yl)-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-bromo-2-methylpropan-2-yl)-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1-bromo-2-methylpropan-2-yl)-1-phenylcyclopropane-1-carboxamide is CC(C)(CBr)NC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-(1-bromo-2-methylpropan-2-yl)-1-phenylcyclopropane-1-carboxamide?
The InChIKey is VPPCWOBLXGWDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-13(2,10-15)16-12(17)14(8-9-14)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,16,17).
What are the key properties of N-(1-bromo-2-methylpropan-2-yl)-1-phenylcyclopropane-1-carboxamide?
N-(1-bromo-2-methylpropan-2-yl)-1-phenylcyclopropane-1-carboxamide has a molecular weight of 296.21 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylpropan-2-yl)-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 114308184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).