cis-(1R,2S)-N-benzhydryl-2-methylcyclopropane-1-carboxamide

C18H19NO — CID 2547181

IUPACcis-(1R,2S)-N-benzhydryl-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO/c1-13-12-16(13)18(20)19-17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16-17H,12H2,1H3,(H,19,20)/t13-,16+/m0/s1
InChIKeyBNDULEGBQAZDIA-XJKSGUPXSA-N
MW265.36 g/mol
LogP3.55
Rot. Bonds4

About cis-(1R,2S)-N-benzhydryl-2-methylcyclopropane-1-carboxamide

cis-(1R,2S)-N-benzhydryl-2-methylcyclopropane-1-carboxamide (PubChem CID 2547181) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is cis-(1R,2S)-N-benzhydryl-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-benzhydryl-2-methylcyclopropane-1-carboxamide
PubChem CID2547181
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Namecis-(1R,2S)-N-benzhydryl-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO/c1-13-12-16(13)18(20)19-17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16-17H,12H2,1H3,(H,19,20)/t13-,16+/m0/s1
InChIKeyBNDULEGBQAZDIA-XJKSGUPXSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2R)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]cyclopropane-1-carboxamide
CID 124738701
(1R,6R)-6-(benzhydrylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 1139576
2-[[(4-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975095
N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 71919961
N-(1,3-diphenylpropyl)-2-methylcyclopropane-1-carboxamide
CID 56796182
2-ethyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide
CID 171097114
N-[3-[[(4-chlorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55651655
2-[[(4-ethoxyphenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975218
2-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975283
(1R,6R)-6-[[(R)-(4-methoxyphenyl)-phenylmethyl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 124714365
(1S,6R)-6-[[(R)-(4-methoxyphenyl)-phenylmethyl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 27000371
(2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid
CID 107314543

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-benzhydryl-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-benzhydryl-2-methylcyclopropane-1-carboxamide (CID 2547181) is cis-(1R,2S)-N-benzhydryl-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-benzhydryl-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-benzhydryl-2-methylcyclopropane-1-carboxamide is C[C@H]1C[C@H]1C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of cis-(1R,2S)-N-benzhydryl-2-methylcyclopropane-1-carboxamide?
The InChIKey is BNDULEGBQAZDIA-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-12-16(13)18(20)19-17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16-17H,12H2,1H3,(H,19,20)/t13-,16+/m0/s1.
What are the key properties of cis-(1R,2S)-N-benzhydryl-2-methylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-benzhydryl-2-methylcyclopropane-1-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-benzhydryl-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 2547181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).