N-[2-(bromomethyl)phenyl]-2-methylcyclopropane-1-carboxamide

C12H14BrNO — CID 114309765

IUPACN-[2-(bromomethyl)phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccccc1CBr
InChIInChI=1S/C12H14BrNO/c1-8-6-10(8)12(15)14-11-5-3-2-4-9(11)7-13/h2-5,8,10H,6-7H2,1H3,(H,14,15)
InChIKeyWQPYJTANQSCMBV-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.18
Rot. Bonds3

About N-[2-(bromomethyl)phenyl]-2-methylcyclopropane-1-carboxamide

N-[2-(bromomethyl)phenyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 114309765) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is N-[2-(bromomethyl)phenyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)phenyl]-2-methylcyclopropane-1-carboxamide
PubChem CID114309765
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC NameN-[2-(bromomethyl)phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccccc1CBr
InChIInChI=1S/C12H14BrNO/c1-8-6-10(8)12(15)14-11-5-3-2-4-9(11)7-13/h2-5,8,10H,6-7H2,1H3,(H,14,15)
InChIKeyWQPYJTANQSCMBV-UHFFFAOYSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.18
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-(bromomethyl)phenyl]-2-methyloxolane-3-carboxamide
CID 114309567
N-[2-(bromomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 113274446
N-[2-(benzenesulfonylmethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 56783782
N-[2-(1-chloroethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 114304921
2-amino-N-(2-propylphenyl)cyclopropane-1-carboxamide
CID 82239256
N-(2-bromo-3-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 103819502
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
6-[(2-ethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 2865228
(1R,6R)-6-[(2-ethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 790829
2-[(2-methylcyclopropanecarbonyl)amino]-N-propylbenzamide
CID 47097713
1-[2-(bromomethyl)phenyl]-3-(dimethylamino)urea
CID 18789815
N-[2-(bromomethyl)phenyl]butanamide
CID 70105715

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)phenyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-(bromomethyl)phenyl]-2-methylcyclopropane-1-carboxamide (CID 114309765) is N-[2-(bromomethyl)phenyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(bromomethyl)phenyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(bromomethyl)phenyl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)Nc1ccccc1CBr.
What is the InChIKey of N-[2-(bromomethyl)phenyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is WQPYJTANQSCMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-8-6-10(8)12(15)14-11-5-3-2-4-9(11)7-13/h2-5,8,10H,6-7H2,1H3,(H,14,15).
What are the key properties of N-[2-(bromomethyl)phenyl]-2-methylcyclopropane-1-carboxamide?
N-[2-(bromomethyl)phenyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 268.15 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)phenyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 114309765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).