trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide

C16H14ClNO — CID 792382

IUPACtrans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C16H14ClNO/c17-12-7-4-8-13(9-12)18-16(19)15-10-14(15)11-5-2-1-3-6-11/h1-9,14-15H,10H2,(H,18,19)/t14-,15+/m0/s1
InChIKeyJARNLOHFANWRNN-LSDHHAIUSA-N
MW271.75 g/mol
LogP4.08
Rot. Bonds3

About trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide

trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 792382) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID792382
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Nametrans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C16H14ClNO/c17-12-7-4-8-13(9-12)18-16(19)15-10-14(15)11-5-2-1-3-6-11/h1-9,14-15H,10H2,(H,18,19)/t14-,15+/m0/s1
InChIKeyJARNLOHFANWRNN-LSDHHAIUSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140819
N-(3-hydroxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 81445768
2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270444
cis-(1R,2S)-N-(3-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 96564776
cis-(1S,2R)-N-[3-(carbamoylamino)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 95979513
trans-(1S,2S)-N-(4-chloro-3-nitrophenyl)-2-phenylcyclopropane-1-carboxamide
CID 903153
cis-(1S,2R)-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 99777919
cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide
CID 93010782
N-(4-chloro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
CID 115627268
trans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 887653
cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046
(1S)-2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 175979811

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide (CID 792382) is trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide is O=C(Nc1cccc(Cl)c1)[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is JARNLOHFANWRNN-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H14ClNO/c17-12-7-4-8-13(9-12)18-16(19)15-10-14(15)11-5-2-1-3-6-11/h1-9,14-15H,10H2,(H,18,19)/t14-,15+/m0/s1.
What are the key properties of trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 271.75 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 792382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).