cis-(1S,2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide

C13H15Cl2NO — CID 31200966

IUPACcis-(1S,2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)[C@H]1C[C@H]1C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO/c1-7-5-11(7)13(17)16-8(2)10-4-3-9(14)6-12(10)15/h3-4,6-8,11H,5H2,1-2H3,(H,16,17)/t7-,8+,11+/m1/s1
InChIKeyIMODMLZRQKPOTO-FYBVGQRMSA-N
MW272.18 g/mol
LogP3.83
Rot. Bonds3

About cis-(1S,2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide

cis-(1S,2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 31200966) has the molecular formula C13H15Cl2NO and a molecular weight of 272.18 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
PubChem CID31200966
Molecular FormulaC13H15Cl2NO
Molecular Weight272.18 g/mol
Exact Mass271.05
IUPAC Namecis-(1S,2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)[C@H]1C[C@H]1C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO/c1-7-5-11(7)13(17)16-8(2)10-4-3-9(14)6-12(10)15/h3-4,6-8,11H,5H2,1-2H3,(H,16,17)/t7-,8+,11+/m1/s1
InChIKeyIMODMLZRQKPOTO-FYBVGQRMSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-[(2S)-1-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-1-oxopropan-2-yl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 7778229
cis-(1S,2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 31462999
N-[1-(2,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119683877
cis-(1R,2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 11922138
1-cyclopropyl-3-[(1R)-1-(2,4-dichlorophenyl)ethyl]urea
CID 29023001
N-[1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropan-1-amine
CID 62397096
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
1-[1-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096941
N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 132837563
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
trans-(1S,2S)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 11922406
cis-(1R,2S)-2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 27450935

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide (CID 31200966) is cis-(1S,2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide is C[C@H](NC(=O)[C@H]1C[C@H]1C)c1ccc(Cl)cc1Cl.
What is the InChIKey of cis-(1S,2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is IMODMLZRQKPOTO-FYBVGQRMSA-N. The full InChI is InChI=1S/C13H15Cl2NO/c1-7-5-11(7)13(17)16-8(2)10-4-3-9(14)6-12(10)15/h3-4,6-8,11H,5H2,1-2H3,(H,16,17)/t7-,8+,11+/m1/s1.
What are the key properties of cis-(1S,2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 272.18 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 31200966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).