N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-2,4-difluorobenzamide

C20H14ClF2NOS — CID 3754740

IUPACN-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-2,4-difluorobenzamide
SMILESO=C(Nc1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C20H14ClF2NOS/c21-14-3-8-17(9-4-14)26-12-13-1-6-16(7-2-13)24-20(25)18-10-5-15(22)11-19(18)23/h1-11H,12H2,(H,24,25)
InChIKeyGSRJKQTWNHYEBW-UHFFFAOYSA-N
MW389.85 g/mol
LogP6.16
Rot. Bonds5

About N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-2,4-difluorobenzamide

N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-2,4-difluorobenzamide (PubChem CID 3754740) has the molecular formula C20H14ClF2NOS and a molecular weight of 389.85 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-2,4-difluorobenzamide
PubChem CID3754740
Molecular FormulaC20H14ClF2NOS
Molecular Weight389.85 g/mol
Exact Mass389.05
IUPAC NameN-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-2,4-difluorobenzamide
SMILESO=C(Nc1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C20H14ClF2NOS/c21-14-3-8-17(9-4-14)26-12-13-1-6-16(7-2-13)24-20(25)18-10-5-15(22)11-19(18)23/h1-11H,12H2,(H,24,25)
InChIKeyGSRJKQTWNHYEBW-UHFFFAOYSA-N
XLogP6.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.85
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-chlorophenyl)sulfanylmethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 2804180
N-[[4-[(4-chlorophenyl)methylsulfanyl]phenyl]carbamoyl]-2-fluorobenzamide
CID 20524501
N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide
CID 71199638
4-chloro-2-fluoro-N-(4-fluorophenyl)benzamide
CID 26687726
methyl 4-[(4-chlorophenyl)sulfanylmethyl]-2-fluorobenzoate
CID 106698550
N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]benzamide
CID 3731209
N-(4-butylphenyl)-2,4-difluorobenzamide
CID 8961049
N-[4-(chloromethyl)phenyl]-2,5-difluorobenzamide
CID 114299996
N-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 3097669
2,4-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 108731005
4-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 46553938
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-2,4-difluorobenzamide?
The IUPAC name of N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-2,4-difluorobenzamide (CID 3754740) is N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-2,4-difluorobenzamide is O=C(Nc1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(F)cc1F.
What is the InChIKey of N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-2,4-difluorobenzamide?
The InChIKey is GSRJKQTWNHYEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2NOS/c21-14-3-8-17(9-4-14)26-12-13-1-6-16(7-2-13)24-20(25)18-10-5-15(22)11-19(18)23/h1-11H,12H2,(H,24,25).
What are the key properties of N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-2,4-difluorobenzamide?
N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-2,4-difluorobenzamide has a molecular weight of 389.85 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-2,4-difluorobenzamide is sourced from PubChem (CID 3754740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).