2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfanylbenzamide

C15H13Cl2NOS — CID 26692390

IUPAC2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C15H13Cl2NOS/c1-20-11-6-7-14(17)12(8-11)15(19)18-9-10-4-2-3-5-13(10)16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyXTJCIFJOYDBCQU-UHFFFAOYSA-N
MW326.25 g/mol
LogP4.65
Rot. Bonds4

About 2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfanylbenzamide

2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfanylbenzamide (PubChem CID 26692390) has the molecular formula C15H13Cl2NOS and a molecular weight of 326.25 g/mol. Its IUPAC name is 2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfanylbenzamide
PubChem CID26692390
Molecular FormulaC15H13Cl2NOS
Molecular Weight326.25 g/mol
Exact Mass325.01
IUPAC Name2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C15H13Cl2NOS/c1-20-11-6-7-14(17)12(8-11)15(19)18-9-10-4-2-3-5-13(10)16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyXTJCIFJOYDBCQU-UHFFFAOYSA-N
XLogP4.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methylsulfanylbenzamide
CID 24661064
2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylsulfanylbenzamide
CID 63311148
2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide
CID 19288805
N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 61379070
N-(2-bromoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 114307468
N-[2-(bromomethyl)phenyl]-2-chloro-5-methylsulfanylbenzamide
CID 114309537
2-chloro-N-(2-hydroxy-2-phenylpropyl)-5-methylsulfanylbenzamide
CID 111335170
2-chloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78780256
2-chloro-N-(2-ethylbutyl)-5-methylsulfanylbenzamide
CID 115612538
2,5-dichloro-N-[(2-chlorophenyl)methyl]thiophene-3-carboxamide
CID 17422374
N-[(2-chlorophenyl)methyl]-4-hydroxy-2-methylbenzamide
CID 103863466
(2S)-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-2-hydroxypropanoic acid
CID 114006398

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfanylbenzamide (CID 26692390) is 2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfanylbenzamide is CSc1ccc(Cl)c(C(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfanylbenzamide?
The InChIKey is XTJCIFJOYDBCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NOS/c1-20-11-6-7-14(17)12(8-11)15(19)18-9-10-4-2-3-5-13(10)16/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfanylbenzamide?
2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfanylbenzamide has a molecular weight of 326.25 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfanylbenzamide is sourced from PubChem (CID 26692390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).