N-(2-chloro-4,5-difluorophenyl)-3-methylsulfanylbenzamide

C14H10ClF2NOS — CID 600363

IUPACN-(2-chloro-4,5-difluorophenyl)-3-methylsulfanylbenzamide
SMILESCSc1cccc(C(=O)Nc2cc(F)c(F)cc2Cl)c1
InChIInChI=1S/C14H10ClF2NOS/c1-20-9-4-2-3-8(5-9)14(19)18-13-7-12(17)11(16)6-10(13)15/h2-7H,1H3,(H,18,19)
InChIKeyDXFJURQMGIXEPK-UHFFFAOYSA-N
MW313.76 g/mol
LogP4.59
Rot. Bonds3

About N-(2-chloro-4,5-difluorophenyl)-3-methylsulfanylbenzamide

N-(2-chloro-4,5-difluorophenyl)-3-methylsulfanylbenzamide (PubChem CID 600363) has the molecular formula C14H10ClF2NOS and a molecular weight of 313.76 g/mol. Its IUPAC name is N-(2-chloro-4,5-difluorophenyl)-3-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-4,5-difluorophenyl)-3-methylsulfanylbenzamide
PubChem CID600363
Molecular FormulaC14H10ClF2NOS
Molecular Weight313.76 g/mol
Exact Mass313.01
IUPAC NameN-(2-chloro-4,5-difluorophenyl)-3-methylsulfanylbenzamide
SMILESCSc1cccc(C(=O)Nc2cc(F)c(F)cc2Cl)c1
InChIInChI=1S/C14H10ClF2NOS/c1-20-9-4-2-3-8(5-9)14(19)18-13-7-12(17)11(16)6-10(13)15/h2-7H,1H3,(H,18,19)
InChIKeyDXFJURQMGIXEPK-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N'-(4-chlorophenyl)-3-methylsulfanylbenzohydrazide
CID 54214681
N-[2-methoxy-4-[3-methoxy-4-[(3-methylsulfanylbenzoyl)amino]phenyl]phenyl]-3-methylsulfanylbenzamide
CID 43980864
3-methylsulfanyl-N-(2-phenoxyphenyl)benzamide
CID 43980865
N-(5-amino-2-chlorophenyl)-4-methylsulfanylbenzamide
CID 79214714
3-chloro-N-(2,4,5-trichlorophenyl)benzamide
CID 854431
1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide
CID 4179240
3-[(2,4,5-trifluorophenyl)carbamoyl]benzoic acid
CID 62811130
3-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 3408530
(2,4-dichlorophenyl)-(3-methylsulfanylphenyl)methanone
CID 146007568
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide
CID 16910435
3-bromo-N-(2,4,5-trifluorophenyl)benzamide
CID 62816801
N-(3-chloro-2-methylphenyl)-4-methylsulfanylbenzamide
CID 8574861

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5-difluorophenyl)-3-methylsulfanylbenzamide?
The IUPAC name of N-(2-chloro-4,5-difluorophenyl)-3-methylsulfanylbenzamide (CID 600363) is N-(2-chloro-4,5-difluorophenyl)-3-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-chloro-4,5-difluorophenyl)-3-methylsulfanylbenzamide?
The canonical SMILES for N-(2-chloro-4,5-difluorophenyl)-3-methylsulfanylbenzamide is CSc1cccc(C(=O)Nc2cc(F)c(F)cc2Cl)c1.
What is the InChIKey of N-(2-chloro-4,5-difluorophenyl)-3-methylsulfanylbenzamide?
The InChIKey is DXFJURQMGIXEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NOS/c1-20-9-4-2-3-8(5-9)14(19)18-13-7-12(17)11(16)6-10(13)15/h2-7H,1H3,(H,18,19).
What are the key properties of N-(2-chloro-4,5-difluorophenyl)-3-methylsulfanylbenzamide?
N-(2-chloro-4,5-difluorophenyl)-3-methylsulfanylbenzamide has a molecular weight of 313.76 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,5-difluorophenyl)-3-methylsulfanylbenzamide is sourced from PubChem (CID 600363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).