cis-(1R,2S)-2-methyl-3-oxo-N,1-diphenylcyclopentane-1-carboxamide

C19H19NO2 — CID 7458218

IUPACcis-(1R,2S)-2-methyl-3-oxo-N,1-diphenylcyclopentane-1-carboxamide
SMILESC[C@@H]1C(=O)CC[C@]1(C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO2/c1-14-17(21)12-13-19(14,15-8-4-2-5-9-15)18(22)20-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,22)/t14-,19-/m1/s1
InChIKeyXOTBIIFMNQEIGO-AUUYWEPGSA-N
MW293.37 g/mol
LogP3.56
Rot. Bonds3

About cis-(1R,2S)-2-methyl-3-oxo-N,1-diphenylcyclopentane-1-carboxamide

cis-(1R,2S)-2-methyl-3-oxo-N,1-diphenylcyclopentane-1-carboxamide (PubChem CID 7458218) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is cis-(1R,2S)-2-methyl-3-oxo-N,1-diphenylcyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-methyl-3-oxo-N,1-diphenylcyclopentane-1-carboxamide
PubChem CID7458218
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Namecis-(1R,2S)-2-methyl-3-oxo-N,1-diphenylcyclopentane-1-carboxamide
SMILESC[C@@H]1C(=O)CC[C@]1(C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO2/c1-14-17(21)12-13-19(14,15-8-4-2-5-9-15)18(22)20-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,22)/t14-,19-/m1/s1
InChIKeyXOTBIIFMNQEIGO-AUUYWEPGSA-N
XLogP3.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-(2-carboxyethyl)-3-oxo-1-phenylcyclopentane-1-carboxylic acid
CID 40513856
1-fluoro-N-phenylcyclopropane-1-carboxamide
CID 170914538
1-chloro-N-phenylcyclopropane-1-carboxamide
CID 130016520
2,5-dioxo-N-phenylcyclopentane-1-carboxamide
CID 75388196
4-hydroxy-8-oxo-N-phenylbicyclo[3.2.1]octane-1-carboxamide
CID 134859568
1-amino-N-phenylcyclopropane-1-carboxamide;hydrochloride
CID 75467843
1-(benzenesulfonyl)-N-phenylcyclopentane-1-carboxamide
CID 17438426
1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 54306644
1-N-methyl-1-N'-phenylcyclopentane-1,1-dicarboxamide
CID 164543902
trans-(1S,2S,3E)-3-(carbamoylhydrazinylidene)-2-methyl-1-phenylcyclopentane-1-carboxylate
CID 7350566
2,3-dimethyl-3-phenylcyclobutan-1-one
CID 131076191
1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide
CID 99613024

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-methyl-3-oxo-N,1-diphenylcyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-methyl-3-oxo-N,1-diphenylcyclopentane-1-carboxamide (CID 7458218) is cis-(1R,2S)-2-methyl-3-oxo-N,1-diphenylcyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-methyl-3-oxo-N,1-diphenylcyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-methyl-3-oxo-N,1-diphenylcyclopentane-1-carboxamide is C[C@@H]1C(=O)CC[C@]1(C(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of cis-(1R,2S)-2-methyl-3-oxo-N,1-diphenylcyclopentane-1-carboxamide?
The InChIKey is XOTBIIFMNQEIGO-AUUYWEPGSA-N. The full InChI is InChI=1S/C19H19NO2/c1-14-17(21)12-13-19(14,15-8-4-2-5-9-15)18(22)20-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,22)/t14-,19-/m1/s1.
What are the key properties of cis-(1R,2S)-2-methyl-3-oxo-N,1-diphenylcyclopentane-1-carboxamide?
cis-(1R,2S)-2-methyl-3-oxo-N,1-diphenylcyclopentane-1-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-methyl-3-oxo-N,1-diphenylcyclopentane-1-carboxamide is sourced from PubChem (CID 7458218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).