N-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide

C12H13Cl2NO — CID 31462274

IUPACN-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide
SMILESC[C@@H](NC(=O)C1CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2NO/c1-7(15-12(16)8-2-3-8)9-4-5-10(13)11(14)6-9/h4-8H,2-3H2,1H3,(H,15,16)/t7-/m1/s1
InChIKeyWABZUPKWSXVFII-SSDOTTSWSA-N
MW258.15 g/mol
LogP3.58
Rot. Bonds3

About N-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide

N-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide (PubChem CID 31462274) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide
PubChem CID31462274
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC NameN-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide
SMILESC[C@@H](NC(=O)C1CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2NO/c1-7(15-12(16)8-2-3-8)9-4-5-10(13)11(14)6-9/h4-8H,2-3H2,1H3,(H,15,16)/t7-/m1/s1
InChIKeyWABZUPKWSXVFII-SSDOTTSWSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 30207052
cis-(1S,2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 31462999
N-[1-(3,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 78981822
2-[1-(3,4-dichlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978108
N-[1-(3,4-dichlorophenyl)ethyl]oxolane-2-carboxamide
CID 47004753
(2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide
CID 146129699
N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 63714822
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]cyclopropanecarboxamide
CID 94487664
3-[1-(3,4-dichlorophenyl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 45330660
N-[1-[1-(3-chloro-4-fluorophenyl)ethylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110015453
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 43707174
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide (CID 31462274) is N-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide is C[C@@H](NC(=O)C1CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide?
The InChIKey is WABZUPKWSXVFII-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c1-7(15-12(16)8-2-3-8)9-4-5-10(13)11(14)6-9/h4-8H,2-3H2,1H3,(H,15,16)/t7-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide?
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide has a molecular weight of 258.15 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 31462274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).