trans-(1R,2R)-2-benzyl-N-phenylcyclopropane-1-carboxamide

C17H17NO — CID 899834

IUPACtrans-(1R,2R)-2-benzyl-N-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1C[C@@H]1Cc1ccccc1
InChIInChI=1S/C17H17NO/c19-17(18-15-9-5-2-6-10-15)16-12-14(16)11-13-7-3-1-4-8-13/h1-10,14,16H,11-12H2,(H,18,19)/t14-,16+/m0/s1
InChIKeyFBUQLYZARVFVHQ-GOEBONIOSA-N
MW251.33 g/mol
LogP3.50
Rot. Bonds4

About trans-(1R,2R)-2-benzyl-N-phenylcyclopropane-1-carboxamide

trans-(1R,2R)-2-benzyl-N-phenylcyclopropane-1-carboxamide (PubChem CID 899834) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is trans-(1R,2R)-2-benzyl-N-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-benzyl-N-phenylcyclopropane-1-carboxamide
PubChem CID899834
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Nametrans-(1R,2R)-2-benzyl-N-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1C[C@@H]1Cc1ccccc1
InChIInChI=1S/C17H17NO/c19-17(18-15-9-5-2-6-10-15)16-12-14(16)11-13-7-3-1-4-8-13/h1-10,14,16H,11-12H2,(H,18,19)/t14-,16+/m0/s1
InChIKeyFBUQLYZARVFVHQ-GOEBONIOSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid
CID 10487497
trans-methyl (1R,2R)-2-benzylcyclopropane-1-carboxylate
CID 71409329
2-benzyl-N-(1-pyridin-4-ylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 166233965
trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide
CID 15685590
2-(2-benzylcyclopropyl)-2-oxoacetamide
CID 57160857
cis-(1R,2S)-2-benzyl-N-(5-chloro-2-methoxyphenyl)cyclopropane-1-carboxamide
CID 158550362
trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide
CID 10889384
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
1-N-benzyl-1-N-methyl-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109135783
2-N-cyclopropyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109130904
(1R,2S,4S,5S)-2-benzyl-4,5-dibromocyclohexane-1-carboxylic acid
CID 98246158
2-N-benzyl-1-N-(4-bromophenyl)cyclopropane-1,2-dicarboxamide
CID 109135067

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-benzyl-N-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-benzyl-N-phenylcyclopropane-1-carboxamide (CID 899834) is trans-(1R,2R)-2-benzyl-N-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-benzyl-N-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-benzyl-N-phenylcyclopropane-1-carboxamide is O=C(Nc1ccccc1)[C@@H]1C[C@@H]1Cc1ccccc1.
What is the InChIKey of trans-(1R,2R)-2-benzyl-N-phenylcyclopropane-1-carboxamide?
The InChIKey is FBUQLYZARVFVHQ-GOEBONIOSA-N. The full InChI is InChI=1S/C17H17NO/c19-17(18-15-9-5-2-6-10-15)16-12-14(16)11-13-7-3-1-4-8-13/h1-10,14,16H,11-12H2,(H,18,19)/t14-,16+/m0/s1.
What are the key properties of trans-(1R,2R)-2-benzyl-N-phenylcyclopropane-1-carboxamide?
trans-(1R,2R)-2-benzyl-N-phenylcyclopropane-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-benzyl-N-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 899834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).