cis-(1R,2S)-N-benzyl-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide

C17H15Cl2NO — CID 96564457

IUPACcis-(1R,2S)-N-benzyl-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H15Cl2NO/c18-13-6-12(7-14(19)8-13)15-9-16(15)17(21)20-10-11-4-2-1-3-5-11/h1-8,15-16H,9-10H2,(H,20,21)/t15-,16-/m1/s1
InChIKeyVRNGUAWVAIAHOW-HZPDHXFCSA-N
MW320.22 g/mol
LogP4.41
Rot. Bonds4

About cis-(1R,2S)-N-benzyl-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide

cis-(1R,2S)-N-benzyl-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide (PubChem CID 96564457) has the molecular formula C17H15Cl2NO and a molecular weight of 320.22 g/mol. Its IUPAC name is cis-(1R,2S)-N-benzyl-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-benzyl-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
PubChem CID96564457
Molecular FormulaC17H15Cl2NO
Molecular Weight320.22 g/mol
Exact Mass319.05
IUPAC Namecis-(1R,2S)-N-benzyl-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H15Cl2NO/c18-13-6-12(7-14(19)8-13)15-9-16(15)17(21)20-10-11-4-2-1-3-5-11/h1-8,15-16H,9-10H2,(H,20,21)/t15-,16-/m1/s1
InChIKeyVRNGUAWVAIAHOW-HZPDHXFCSA-N
XLogP4.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 887980
N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
CID 51776902
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
N-(2-aminoethyl)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 119382396
trans-(1R,2R)-2-(3,5-dichlorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide
CID 96564578
(3S,4R)-N-benzyl-4-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 46215955
N-(2-amino-2-methylpropyl)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119626280
cis-(1S,2R)-N-[[3-(carbamoylamino)phenyl]methyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 95050916
N-[(3-bromophenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55576532
2-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60791872
cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 96564487

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-benzyl-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-benzyl-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide (CID 96564457) is cis-(1R,2S)-N-benzyl-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-benzyl-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-benzyl-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide is O=C(NCc1ccccc1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of cis-(1R,2S)-N-benzyl-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is VRNGUAWVAIAHOW-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H15Cl2NO/c18-13-6-12(7-14(19)8-13)15-9-16(15)17(21)20-10-11-4-2-1-3-5-11/h1-8,15-16H,9-10H2,(H,20,21)/t15-,16-/m1/s1.
What are the key properties of cis-(1R,2S)-N-benzyl-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
cis-(1R,2S)-N-benzyl-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 320.22 g/mol, XLogP of 4.41, 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-benzyl-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 96564457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).