cis-(2S,3R)-N-benzyl-2,3-diphenylcyclopropane-1-carboxamide

C23H21NO — CID 101216317

IUPACcis-(2S,3R)-N-benzyl-2,3-diphenylcyclopropane-1-carboxamide
SMILESO=C(NCc1ccccc1)C1[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C23H21NO/c25-23(24-16-17-10-4-1-5-11-17)22-20(18-12-6-2-7-13-18)21(22)19-14-8-3-9-15-19/h1-15,20-22H,16H2,(H,24,25)/t20-,21+,22?
InChIKeyOBXKSJFDUVRBLJ-CBQGHPETSA-N
MW327.43 g/mol
LogP4.50
Rot. Bonds5

About cis-(2S,3R)-N-benzyl-2,3-diphenylcyclopropane-1-carboxamide

cis-(2S,3R)-N-benzyl-2,3-diphenylcyclopropane-1-carboxamide (PubChem CID 101216317) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is cis-(2S,3R)-N-benzyl-2,3-diphenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(2S,3R)-N-benzyl-2,3-diphenylcyclopropane-1-carboxamide
PubChem CID101216317
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Namecis-(2S,3R)-N-benzyl-2,3-diphenylcyclopropane-1-carboxamide
SMILESO=C(NCc1ccccc1)C1[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C23H21NO/c25-23(24-16-17-10-4-1-5-11-17)22-20(18-12-6-2-7-13-18)21(22)19-14-8-3-9-15-19/h1-15,20-22H,16H2,(H,24,25)/t20-,21+,22?
InChIKeyOBXKSJFDUVRBLJ-CBQGHPETSA-N
XLogP4.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyladamantane-2-carboxamide
CID 51191471
16-(benzylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 6611403
cis-(2S,4R)-3-(carboxymethylcarbamoyl)-2,4-diphenylcyclobutane-1-carboxylic acid
CID 7262140
(1S,2R,3S,4R)-3-(benzylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 11869079
(1S,2R,3R,4R)-3-(benzylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 11869081
N-benzylcyclobutanecarboxamide
CID 730128
N-benzylcyclopentanecarboxamide
CID 835634
(1S,2R,4S,5S,6R,7R)-7-(benzylcarbamoyl)tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid
CID 124718862
(1R,2S,3S,4S)-3-(benzylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylate
CID 11859332
(1S,2S,3R,4R)-3-amino-N-benzylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 130757036
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
CID 51776902

Frequently Asked Questions

What is the IUPAC name of cis-(2S,3R)-N-benzyl-2,3-diphenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(2S,3R)-N-benzyl-2,3-diphenylcyclopropane-1-carboxamide (CID 101216317) is cis-(2S,3R)-N-benzyl-2,3-diphenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(2S,3R)-N-benzyl-2,3-diphenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(2S,3R)-N-benzyl-2,3-diphenylcyclopropane-1-carboxamide is O=C(NCc1ccccc1)C1[C@@H](c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of cis-(2S,3R)-N-benzyl-2,3-diphenylcyclopropane-1-carboxamide?
The InChIKey is OBXKSJFDUVRBLJ-CBQGHPETSA-N. The full InChI is InChI=1S/C23H21NO/c25-23(24-16-17-10-4-1-5-11-17)22-20(18-12-6-2-7-13-18)21(22)19-14-8-3-9-15-19/h1-15,20-22H,16H2,(H,24,25)/t20-,21+,22?.
What are the key properties of cis-(2S,3R)-N-benzyl-2,3-diphenylcyclopropane-1-carboxamide?
cis-(2S,3R)-N-benzyl-2,3-diphenylcyclopropane-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,3R)-N-benzyl-2,3-diphenylcyclopropane-1-carboxamide is sourced from PubChem (CID 101216317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).