cis-(1S,2S)-2-[(Z)-2-chloroethenyl]-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide

C20H17Cl3FNO — CID 87393835

IUPACcis-(1S,2S)-2-[(Z)-2-chloroethenyl]-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1/C=C\Cl
InChIInChI=1S/C20H17Cl3FNO/c1-25(12-13-2-5-16(24)6-3-13)19(26)20(11-15(20)8-9-21)14-4-7-17(22)18(23)10-14/h2-10,15H,11-12H2,1H3/b9-8-/t15-,20-/m1/s1
InChIKeyUWYNNSMHSRNXMC-XNUHVSEESA-N
MW412.72 g/mol
LogP5.80
Rot. Bonds5

About cis-(1S,2S)-2-[(Z)-2-chloroethenyl]-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide

cis-(1S,2S)-2-[(Z)-2-chloroethenyl]-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 87393835) has the molecular formula C20H17Cl3FNO and a molecular weight of 412.72 g/mol. Its IUPAC name is cis-(1S,2S)-2-[(Z)-2-chloroethenyl]-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-[(Z)-2-chloroethenyl]-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
PubChem CID87393835
Molecular FormulaC20H17Cl3FNO
Molecular Weight412.72 g/mol
Exact Mass411.04
IUPAC Namecis-(1S,2S)-2-[(Z)-2-chloroethenyl]-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1/C=C\Cl
InChIInChI=1S/C20H17Cl3FNO/c1-25(12-13-2-5-16(24)6-3-13)19(26)20(11-15(20)8-9-21)14-4-7-17(22)18(23)10-14/h2-10,15H,11-12H2,1H3/b9-8-/t15-,20-/m1/s1
InChIKeyUWYNNSMHSRNXMC-XNUHVSEESA-N
XLogP5.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.72
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-[(Z)-2-chloroethenyl]-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-2-[(Z)-2-chloroethenyl]-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide (CID 87393835) is cis-(1S,2S)-2-[(Z)-2-chloroethenyl]-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-2-[(Z)-2-chloroethenyl]-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-2-[(Z)-2-chloroethenyl]-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide is CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1/C=C\Cl.
What is the InChIKey of cis-(1S,2S)-2-[(Z)-2-chloroethenyl]-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is UWYNNSMHSRNXMC-XNUHVSEESA-N. The full InChI is InChI=1S/C20H17Cl3FNO/c1-25(12-13-2-5-16(24)6-3-13)19(26)20(11-15(20)8-9-21)14-4-7-17(22)18(23)10-14/h2-10,15H,11-12H2,1H3/b9-8-/t15-,20-/m1/s1.
What are the key properties of cis-(1S,2S)-2-[(Z)-2-chloroethenyl]-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide?
cis-(1S,2S)-2-[(Z)-2-chloroethenyl]-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 412.72 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-[(Z)-2-chloroethenyl]-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 87393835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).