2,3-dichloro-N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]benzamide

C18H8Cl4N2OS — CID 5175072

IUPAC2,3-dichloro-N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]benzamide
SMILESN#Cc1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C18H8Cl4N2OS/c19-9-4-5-10(15(21)6-9)13-8-26-18(12(13)7-23)24-17(25)11-2-1-3-14(20)16(11)22/h1-6,8H,(H,24,25)
InChIKeyMGIZTSJALCDBMQ-UHFFFAOYSA-N
MW442.15 g/mol
LogP7.15
Rot. Bonds3

About 2,3-dichloro-N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]benzamide

2,3-dichloro-N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]benzamide (PubChem CID 5175072) has the molecular formula C18H8Cl4N2OS and a molecular weight of 442.15 g/mol. Its IUPAC name is 2,3-dichloro-N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]benzamide
PubChem CID5175072
Molecular FormulaC18H8Cl4N2OS
Molecular Weight442.15 g/mol
Exact Mass439.91
IUPAC Name2,3-dichloro-N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]benzamide
SMILESN#Cc1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C18H8Cl4N2OS/c19-9-4-5-10(15(21)6-9)13-8-26-18(12(13)7-23)24-17(25)11-2-1-3-14(20)16(11)22/h1-6,8H,(H,24,25)
InChIKeyMGIZTSJALCDBMQ-UHFFFAOYSA-N
XLogP7.15
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.15
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]propanamide
CID 2971084
2-amino-4-(2,4-dichlorophenyl)thiophene-3-carbonitrile
CID 672395
2,3-dichloro-N-(4-chloro-2-iodophenyl)benzamide
CID 103766641
4-chloro-N-[3-cyano-4-(4-fluorophenyl)thiophen-2-yl]benzamide
CID 17285013
N-(2-bromo-4-chlorophenyl)-2,3-dichlorobenzamide
CID 81028936
2,3-dichloro-N-[3-cyano-4-(4-ethylphenyl)-5-methylthiophen-2-yl]benzamide
CID 3656316
4-(2,4-dichlorophenyl)-2-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 25225581
2-[(2,3-dichlorobenzoyl)amino]thiophene-3-carboxamide
CID 2117879
1-[4-(3-chlorophenyl)-3-cyanothiophen-2-yl]-3-(4-pyrrolidin-1-ylbutyl)urea
CID 171783538
N-(5-bromo-2-cyanophenyl)-2,3-dichlorobenzamide
CID 104880179
2-chloro-N-(3-cyanothiophen-2-yl)benzamide
CID 2105085
2,3-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 2296110

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]benzamide (CID 5175072) is 2,3-dichloro-N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]benzamide is N#Cc1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]benzamide?
The InChIKey is MGIZTSJALCDBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8Cl4N2OS/c19-9-4-5-10(15(21)6-9)13-8-26-18(12(13)7-23)24-17(25)11-2-1-3-14(20)16(11)22/h1-6,8H,(H,24,25).
What are the key properties of 2,3-dichloro-N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]benzamide?
2,3-dichloro-N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]benzamide has a molecular weight of 442.15 g/mol, XLogP of 7.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]benzamide is sourced from PubChem (CID 5175072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).