2-chloro-N-[(4,5-dichlorothiophen-2-yl)carbamoyl]benzamide

C12H7Cl3N2O2S — CID 14600661

IUPAC2-chloro-N-[(4,5-dichlorothiophen-2-yl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1cc(Cl)c(Cl)s1
InChIInChI=1S/C12H7Cl3N2O2S/c13-7-4-2-1-3-6(7)11(18)17-12(19)16-9-5-8(14)10(15)20-9/h1-5H,(H2,16,17,18,19)
InChIKeyYENIFTCJRXMPRY-UHFFFAOYSA-N
MW349.63 g/mol
LogP4.67
Rot. Bonds2

About 2-chloro-N-[(4,5-dichlorothiophen-2-yl)carbamoyl]benzamide

2-chloro-N-[(4,5-dichlorothiophen-2-yl)carbamoyl]benzamide (PubChem CID 14600661) has the molecular formula C12H7Cl3N2O2S and a molecular weight of 349.63 g/mol. Its IUPAC name is 2-chloro-N-[(4,5-dichlorothiophen-2-yl)carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(4,5-dichlorothiophen-2-yl)carbamoyl]benzamide
PubChem CID14600661
Molecular FormulaC12H7Cl3N2O2S
Molecular Weight349.63 g/mol
Exact Mass347.93
IUPAC Name2-chloro-N-[(4,5-dichlorothiophen-2-yl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1cc(Cl)c(Cl)s1
InChIInChI=1S/C12H7Cl3N2O2S/c13-7-4-2-1-3-6(7)11(18)17-12(19)16-9-5-8(14)10(15)20-9/h1-5H,(H2,16,17,18,19)
InChIKeyYENIFTCJRXMPRY-UHFFFAOYSA-N
XLogP4.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.63
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(3-chloro-4-phenylphenyl)carbamoyl]benzamide
CID 134092649
2-chloro-N-[(2,5-dichloro-3-fluorophenyl)carbamoyl]benzamide
CID 86041132
2-chloro-N-[[5-(4-chlorophenyl)pyrazin-2-yl]carbamoyl]benzamide
CID 13341093
2-chloro-N-[[2,3,6-trichloro-4-(2,4,5-trichlorophenoxy)phenyl]carbamoyl]benzamide
CID 19072795
N-[(3-amino-2,5-difluorophenyl)carbamoyl]-2-chlorobenzamide
CID 86041149
2-chloro-N-[[3,5-dichloro-4-(4-chlorophenyl)sulfanylphenyl]carbamoyl]benzamide
CID 13186097
2-chloro-N-[(3-chloro-4-phenoxyphenyl)carbamoyl]benzamide
CID 13186092
2-chloro-N-[[3-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]carbamoyl]benzamide
CID 154220951
5-[(2-chlorobenzoyl)amino]-3-methyl-N-methylsulfonylthiophene-2-carboxamide
CID 167950679
N-carbamothioyl-2-chlorobenzamide
CID 3909253
2-chloro-N-[[3-chloro-4-(phenoxymethyl)phenyl]carbamoyl]benzamide
CID 70576608
2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide
CID 44561285

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4,5-dichlorothiophen-2-yl)carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[(4,5-dichlorothiophen-2-yl)carbamoyl]benzamide (CID 14600661) is 2-chloro-N-[(4,5-dichlorothiophen-2-yl)carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(4,5-dichlorothiophen-2-yl)carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[(4,5-dichlorothiophen-2-yl)carbamoyl]benzamide is O=C(NC(=O)c1ccccc1Cl)Nc1cc(Cl)c(Cl)s1.
What is the InChIKey of 2-chloro-N-[(4,5-dichlorothiophen-2-yl)carbamoyl]benzamide?
The InChIKey is YENIFTCJRXMPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N2O2S/c13-7-4-2-1-3-6(7)11(18)17-12(19)16-9-5-8(14)10(15)20-9/h1-5H,(H2,16,17,18,19).
What are the key properties of 2-chloro-N-[(4,5-dichlorothiophen-2-yl)carbamoyl]benzamide?
2-chloro-N-[(4,5-dichlorothiophen-2-yl)carbamoyl]benzamide has a molecular weight of 349.63 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4,5-dichlorothiophen-2-yl)carbamoyl]benzamide is sourced from PubChem (CID 14600661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).