cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide

C10H9Cl2NO — CID 95245016

IUPACcis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H9Cl2NO/c11-8-2-1-5(3-9(8)12)6-4-7(6)10(13)14/h1-3,6-7H,4H2,(H2,13,14)/t6-,7-/m1/s1
InChIKeyQQDVXAGMYJRYEN-RNFRBKRXSA-N
MW230.09 g/mol
LogP2.58
Rot. Bonds2

About cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide

cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide (PubChem CID 95245016) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
PubChem CID95245016
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC Namecis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H9Cl2NO/c11-8-2-1-5(3-9(8)12)6-4-7(6)10(13)14/h1-3,6-7H,4H2,(H2,13,14)/t6-,7-/m1/s1
InChIKeyQQDVXAGMYJRYEN-RNFRBKRXSA-N
XLogP2.58
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 23027092
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 88976035
trans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 131139995
methyl (2S)-2-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95242853
cis-(1R,2S)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
CID 124562405
(3R)-1-[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide
CID 98760990
N-(2-amino-2-methylpropyl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119627426
N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 119522635
trans-(1R,2R)-N,N-bis(cyanomethyl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 95247693
2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 66485215
trans-(1S,2S)-2-(4-bromophenyl)cyclopropane-1-carboxamide
CID 66795977

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide (CID 95245016) is cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide is NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is QQDVXAGMYJRYEN-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c11-8-2-1-5(3-9(8)12)6-4-7(6)10(13)14/h1-3,6-7H,4H2,(H2,13,14)/t6-,7-/m1/s1.
What are the key properties of cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide?
cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 230.09 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95245016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).