N-(5-bromo-2-methylphenyl)-2-methylcyclopropane-1-carboxamide

C12H14BrNO — CID 43806366

IUPACN-(5-bromo-2-methylphenyl)-2-methylcyclopropane-1-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)C1CC1C
InChIInChI=1S/C12H14BrNO/c1-7-3-4-9(13)6-11(7)14-12(15)10-5-8(10)2/h3-4,6,8,10H,5H2,1-2H3,(H,14,15)
InChIKeyRSHUHPFOIXAUPS-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.35
Rot. Bonds2

About N-(5-bromo-2-methylphenyl)-2-methylcyclopropane-1-carboxamide

N-(5-bromo-2-methylphenyl)-2-methylcyclopropane-1-carboxamide (PubChem CID 43806366) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-2-methylcyclopropane-1-carboxamide
PubChem CID43806366
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC NameN-(5-bromo-2-methylphenyl)-2-methylcyclopropane-1-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)C1CC1C
InChIInChI=1S/C12H14BrNO/c1-7-3-4-9(13)6-11(7)14-12(15)10-5-8(10)2/h3-4,6,8,10H,5H2,1-2H3,(H,14,15)
InChIKeyRSHUHPFOIXAUPS-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,4S)-N-(5-bromo-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 98538433
cis-(1R,2S)-N-(5-fluoro-2-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 7777713
4-amino-N-(5-bromo-2-methylphenyl)oxolane-3-carboxamide
CID 66238442
N-(4-bromo-2-cyanophenyl)-2-methylcyclopropane-1-carboxamide
CID 81498745
2-N-(4-bromophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141603
N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide
CID 47109483
(2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide
CID 103849959
N-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 43806476
N-(5-bromo-2-methylphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 64867228
4-(aminomethyl)-N-(5-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 79527030
trans-(1R,2R)-N-[3-(5-bromo-2-fluoroanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 95621041
trans-(1S,2S)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
CID 26850175

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-2-methylcyclopropane-1-carboxamide (CID 43806366) is N-(5-bromo-2-methylphenyl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-2-methylcyclopropane-1-carboxamide is Cc1ccc(Br)cc1NC(=O)C1CC1C.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is RSHUHPFOIXAUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-7-3-4-9(13)6-11(7)14-12(15)10-5-8(10)2/h3-4,6,8,10H,5H2,1-2H3,(H,14,15).
What are the key properties of N-(5-bromo-2-methylphenyl)-2-methylcyclopropane-1-carboxamide?
N-(5-bromo-2-methylphenyl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 268.15 g/mol, XLogP of 3.35, 2 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)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 43806366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).