N-[(5-bromo-2-methylphenyl)methyl]cyclopropanecarboxamide

C12H14BrNO — CID 95971045

IUPACN-[(5-bromo-2-methylphenyl)methyl]cyclopropanecarboxamide
SMILESCc1ccc(Br)cc1CNC(=O)C1CC1
InChIInChI=1S/C12H14BrNO/c1-8-2-5-11(13)6-10(8)7-14-12(15)9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H,14,15)
InChIKeyXKGQYPFWMHETKE-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.78
Rot. Bonds3

About N-[(5-bromo-2-methylphenyl)methyl]cyclopropanecarboxamide

N-[(5-bromo-2-methylphenyl)methyl]cyclopropanecarboxamide (PubChem CID 95971045) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is N-[(5-bromo-2-methylphenyl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methylphenyl)methyl]cyclopropanecarboxamide
PubChem CID95971045
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC NameN-[(5-bromo-2-methylphenyl)methyl]cyclopropanecarboxamide
SMILESCc1ccc(Br)cc1CNC(=O)C1CC1
InChIInChI=1S/C12H14BrNO/c1-8-2-5-11(13)6-10(8)7-14-12(15)9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H,14,15)
InChIKeyXKGQYPFWMHETKE-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-bromo-2-methylphenyl)methyl]-4-oxocyclohexane-1-carboxamide
CID 115150434
4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 115150582
N-[(5-bromo-2-methylphenyl)methyl]-2-chloroacetamide
CID 115162022
3-amino-N-[(4-bromo-2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119780965
N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide
CID 67195679
N-[(5-bromo-2-methylphenyl)methyl]-3-oxobutanamide
CID 115176428
4-[(4-bromo-2-chlorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674132
N-[[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclopropanecarboxamide
CID 140923254
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 27781440
ethyl 3-[(5-bromo-2-methylphenyl)methylamino]-3-oxopropanoate
CID 115138564
N-[2-[(4-bromo-2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115598225
4-amino-N-[(5-bromo-2-methylphenyl)methyl]butanamide
CID 115155319

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methylphenyl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(5-bromo-2-methylphenyl)methyl]cyclopropanecarboxamide (CID 95971045) is N-[(5-bromo-2-methylphenyl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(5-bromo-2-methylphenyl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(5-bromo-2-methylphenyl)methyl]cyclopropanecarboxamide is Cc1ccc(Br)cc1CNC(=O)C1CC1.
What is the InChIKey of N-[(5-bromo-2-methylphenyl)methyl]cyclopropanecarboxamide?
The InChIKey is XKGQYPFWMHETKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-8-2-5-11(13)6-10(8)7-14-12(15)9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H,14,15).
What are the key properties of N-[(5-bromo-2-methylphenyl)methyl]cyclopropanecarboxamide?
N-[(5-bromo-2-methylphenyl)methyl]cyclopropanecarboxamide has a molecular weight of 268.15 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methylphenyl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 95971045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).