trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide

C13H15NO2 — CID 2111342

IUPACtrans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1
InChIInChI=1S/C13H15NO2/c1-8-6-12(8)13(16)14-11-5-3-4-10(7-11)9(2)15/h3-5,7-8,12H,6H2,1-2H3,(H,14,16)/t8-,12-/m1/s1
InChIKeyUSZIBNHTAPJBLP-PRHODGIISA-N
MW217.27 g/mol
LogP2.48
Rot. Bonds3

About trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide

trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide (PubChem CID 2111342) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
PubChem CID2111342
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Nametrans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1
InChIInChI=1S/C13H15NO2/c1-8-6-12(8)13(16)14-11-5-3-4-10(7-11)9(2)15/h3-5,7-8,12H,6H2,1-2H3,(H,14,16)/t8-,12-/m1/s1
InChIKeyUSZIBNHTAPJBLP-PRHODGIISA-N
XLogP2.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-N-[3-(3-acetylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 39895698
N-(3-acetylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013625
N-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 46450403
N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39896916
dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate
CID 55667093
2-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
CID 119136391
2-N-(3-acetylphenyl)-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142489
N-[3-(methanesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 42959478
N-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39889326
N-(4-hydroxycyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 110888559
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51318010
1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 71941988

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide (CID 2111342) is trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide is CC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1.
What is the InChIKey of trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is USZIBNHTAPJBLP-PRHODGIISA-N. The full InChI is InChI=1S/C13H15NO2/c1-8-6-12(8)13(16)14-11-5-3-4-10(7-11)9(2)15/h3-5,7-8,12H,6H2,1-2H3,(H,14,16)/t8-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 2111342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).