cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide

C16H12Cl2FNO — CID 96564449

IUPACcis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H12Cl2FNO/c17-10-5-9(6-11(18)7-10)14-8-15(14)16(21)20-13-3-1-12(19)2-4-13/h1-7,14-15H,8H2,(H,20,21)/t14-,15-/m0/s1
InChIKeyLRTLXKOPBNXGPY-GJZGRUSLSA-N
MW324.18 g/mol
LogP4.87
Rot. Bonds3

About cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide

cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 96564449) 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-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID96564449
Molecular FormulaC16H12Cl2FNO
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Namecis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H12Cl2FNO/c17-10-5-9(6-11(18)7-10)14-8-15(14)16(21)20-13-3-1-12(19)2-4-13/h1-7,14-15H,8H2,(H,20,21)/t14-,15-/m0/s1
InChIKeyLRTLXKOPBNXGPY-GJZGRUSLSA-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-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 118736163
cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-(4-ethoxyphenyl)cyclopropane-1-carboxamide
CID 96564552
cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 96564487
trans-(1R,2R)-N-(4-acetamido-3-chlorophenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 30461454
cis-(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 96564617
trans-(1R,2R)-2-(3,5-dichlorophenyl)-N-(3-nitrophenyl)cyclopropane-1-carboxamide
CID 96564704
1-N-(3,4-difluorophenyl)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142798
trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 843468
trans-(1R,2R)-2-(3,5-dichlorophenyl)-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide
CID 96564716
2-(4-fluorophenyl)-N-[4-(4-hydroxypiperidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 71941507
trans-(1R,2R)-2-(3,5-dichlorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide
CID 96564578
2-(4-fluorophenyl)-N-[4-[4-(methoxymethyl)phenyl]phenyl]cyclopropane-1-carboxamide
CID 164531756

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 96564449) is cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide is O=C(Nc1ccc(F)cc1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is LRTLXKOPBNXGPY-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H12Cl2FNO/c17-10-5-9(6-11(18)7-10)14-8-15(14)16(21)20-13-3-1-12(19)2-4-13/h1-7,14-15H,8H2,(H,20,21)/t14-,15-/m0/s1.
What are the key properties of cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide?
cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(4-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-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 96564449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).