N-[(Z)-2-chloro-2-(4-chlorophenyl)sulfanyl-1-cyanoethenyl]-4-fluorobenzamide

C16H9Cl2FN2OS — CID 39863755

IUPACN-[(Z)-2-chloro-2-(4-chlorophenyl)sulfanyl-1-cyanoethenyl]-4-fluorobenzamide
SMILESN#C/C(NC(=O)c1ccc(F)cc1)=C(/Cl)Sc1ccc(Cl)cc1
InChIInChI=1S/C16H9Cl2FN2OS/c17-11-3-7-13(8-4-11)23-15(18)14(9-20)21-16(22)10-1-5-12(19)6-2-10/h1-8H,(H,21,22)/b15-14+
InChIKeyYYVQILPKMKINPL-CCEZHUSRSA-N
MW367.23 g/mol
LogP4.93
Rot. Bonds4

About N-[(Z)-2-chloro-2-(4-chlorophenyl)sulfanyl-1-cyanoethenyl]-4-fluorobenzamide

N-[(Z)-2-chloro-2-(4-chlorophenyl)sulfanyl-1-cyanoethenyl]-4-fluorobenzamide (PubChem CID 39863755) has the molecular formula C16H9Cl2FN2OS and a molecular weight of 367.23 g/mol. Its IUPAC name is N-[(Z)-2-chloro-2-(4-chlorophenyl)sulfanyl-1-cyanoethenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-2-chloro-2-(4-chlorophenyl)sulfanyl-1-cyanoethenyl]-4-fluorobenzamide
PubChem CID39863755
Molecular FormulaC16H9Cl2FN2OS
Molecular Weight367.23 g/mol
Exact Mass365.98
IUPAC NameN-[(Z)-2-chloro-2-(4-chlorophenyl)sulfanyl-1-cyanoethenyl]-4-fluorobenzamide
SMILESN#C/C(NC(=O)c1ccc(F)cc1)=C(/Cl)Sc1ccc(Cl)cc1
InChIInChI=1S/C16H9Cl2FN2OS/c17-11-3-7-13(8-4-11)23-15(18)14(9-20)21-16(22)10-1-5-12(19)6-2-10/h1-8H,(H,21,22)/b15-14+
InChIKeyYYVQILPKMKINPL-CCEZHUSRSA-N
XLogP4.93
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

N-[2,2-bis[(4-chlorophenyl)sulfanyl]-1-cyanoethenyl]benzamide
CID 2301646
N-[2,2-bis[(4-chlorophenyl)sulfanyl]-1-cyanoethenyl]-4-tert-butylbenzamide
CID 73254159
4-chloro-N-(1-cyano-2-methylprop-1-enyl)benzamide
CID 110192763
ethyl 3-[(4-chlorobenzoyl)amino]-2-cyano-3-(4-fluorophenyl)prop-2-enoate
CID 91331196
[(Z)-2-chloro-1-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)sulfanylethenyl]-triphenylphosphanium chloride
CID 44657111
4-chloro-N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide
CID 40598411
N-[2,2-bis[(4-bromophenyl)sulfanyl]-1-cyanoethenyl]benzamide
CID 45148603
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
4-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 79946601
3-(4-chlorophenyl)-2-cyano-N-(4-fluorophenyl)-3-oxopropanamide
CID 7100268

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-chloro-2-(4-chlorophenyl)sulfanyl-1-cyanoethenyl]-4-fluorobenzamide?
The IUPAC name of N-[(Z)-2-chloro-2-(4-chlorophenyl)sulfanyl-1-cyanoethenyl]-4-fluorobenzamide (CID 39863755) is N-[(Z)-2-chloro-2-(4-chlorophenyl)sulfanyl-1-cyanoethenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(Z)-2-chloro-2-(4-chlorophenyl)sulfanyl-1-cyanoethenyl]-4-fluorobenzamide?
The canonical SMILES for N-[(Z)-2-chloro-2-(4-chlorophenyl)sulfanyl-1-cyanoethenyl]-4-fluorobenzamide is N#C/C(NC(=O)c1ccc(F)cc1)=C(/Cl)Sc1ccc(Cl)cc1.
What is the InChIKey of N-[(Z)-2-chloro-2-(4-chlorophenyl)sulfanyl-1-cyanoethenyl]-4-fluorobenzamide?
The InChIKey is YYVQILPKMKINPL-CCEZHUSRSA-N. The full InChI is InChI=1S/C16H9Cl2FN2OS/c17-11-3-7-13(8-4-11)23-15(18)14(9-20)21-16(22)10-1-5-12(19)6-2-10/h1-8H,(H,21,22)/b15-14+.
What are the key properties of N-[(Z)-2-chloro-2-(4-chlorophenyl)sulfanyl-1-cyanoethenyl]-4-fluorobenzamide?
N-[(Z)-2-chloro-2-(4-chlorophenyl)sulfanyl-1-cyanoethenyl]-4-fluorobenzamide has a molecular weight of 367.23 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-chloro-2-(4-chlorophenyl)sulfanyl-1-cyanoethenyl]-4-fluorobenzamide is sourced from PubChem (CID 39863755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).