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

C16H12Cl2FNO — CID 96564487

IUPACcis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1F)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H12Cl2FNO/c17-10-5-9(6-11(18)7-10)12-8-13(12)16(21)20-15-4-2-1-3-14(15)19/h1-7,12-13H,8H2,(H,20,21)/t12-,13-/m0/s1
InChIKeyITWMCASWIOBGOJ-STQMWFEESA-N
MW324.18 g/mol
LogP4.87
Rot. Bonds3

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

cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 96564487) has the molecular formula C16H12Cl2FNO and a molecular weight of 324.18 g/mol. Its IUPAC name is cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID96564487
Molecular FormulaC16H12Cl2FNO
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Namecis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1F)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H12Cl2FNO/c17-10-5-9(6-11(18)7-10)12-8-13(12)16(21)20-15-4-2-1-3-14(15)19/h1-7,12-13H,8H2,(H,20,21)/t12-,13-/m0/s1
InChIKeyITWMCASWIOBGOJ-STQMWFEESA-N
XLogP4.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2R)-2-(3,5-dichlorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide
CID 96564578
cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 96564449
trans-(1R,2R)-2-(3,5-dichlorophenyl)-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide
CID 96564716
N-(2-chlorophenyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134055525
cis-(1R,2S)-N-benzyl-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 96564457
trans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 887653
2-(2-chlorophenyl)-N-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide
CID 55477032
N'-(3,5-dichlorophenyl)-N-(2-fluorophenyl)oxamide
CID 108520851
N-(2-aminoethyl)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 119382396
2-N-(2-chlorophenyl)-1-N-(3,5-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142850
N-(2-aminoethyl)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride
CID 120603955
1-N-(2-fluorophenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135951

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 96564487) is cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide is O=C(Nc1ccccc1F)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is ITWMCASWIOBGOJ-STQMWFEESA-N. The full InChI is InChI=1S/C16H12Cl2FNO/c17-10-5-9(6-11(18)7-10)12-8-13(12)16(21)20-15-4-2-1-3-14(15)19/h1-7,12-13H,8H2,(H,20,21)/t12-,13-/m0/s1.
What are the key properties of cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide?
cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 324.18 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 96564487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).