N-[4-chloro-2-fluoro-5-(2-sulfanylphenyl)phenyl]benzamide

C19H13ClFNOS — CID 139689712

IUPACN-[4-chloro-2-fluoro-5-(2-sulfanylphenyl)phenyl]benzamide
SMILESO=C(Nc1cc(-c2ccccc2S)c(Cl)cc1F)c1ccccc1
InChIInChI=1S/C19H13ClFNOS/c20-15-11-16(21)17(22-19(23)12-6-2-1-3-7-12)10-14(15)13-8-4-5-9-18(13)24/h1-11,24H,(H,22,23)
InChIKeyCIUROVORHAYZNK-UHFFFAOYSA-N
MW357.84 g/mol
LogP5.69
Rot. Bonds3

About N-[4-chloro-2-fluoro-5-(2-sulfanylphenyl)phenyl]benzamide

N-[4-chloro-2-fluoro-5-(2-sulfanylphenyl)phenyl]benzamide (PubChem CID 139689712) has the molecular formula C19H13ClFNOS and a molecular weight of 357.84 g/mol. Its IUPAC name is N-[4-chloro-2-fluoro-5-(2-sulfanylphenyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-chloro-2-fluoro-5-(2-sulfanylphenyl)phenyl]benzamide
PubChem CID139689712
Molecular FormulaC19H13ClFNOS
Molecular Weight357.84 g/mol
Exact Mass357.04
IUPAC NameN-[4-chloro-2-fluoro-5-(2-sulfanylphenyl)phenyl]benzamide
SMILESO=C(Nc1cc(-c2ccccc2S)c(Cl)cc1F)c1ccccc1
InChIInChI=1S/C19H13ClFNOS/c20-15-11-16(21)17(22-19(23)12-6-2-1-3-7-12)10-14(15)13-8-4-5-9-18(13)24/h1-11,24H,(H,22,23)
InChIKeyCIUROVORHAYZNK-UHFFFAOYSA-N
XLogP5.69
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.84
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 5-benzamido-2-chloro-4-fluorobenzoate
CID 507314
zinc N-(2-sulfanylphenyl)benzamide
CID 22756062
ethyl 2-(5-benzamido-2-chloro-4-fluorophenyl)sulfanylpropanoate
CID 139689614
N-(4,5-dichloro-2-fluorophenyl)pyridine-4-carboxamide
CID 100692060
N-(2,5-dichlorophenyl)benzamide;hydroiodide
CID 175991469
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
propan-2-yl 2-(5-benzamido-2-chloro-4-fluorophenyl)sulfanylpentanoate
CID 139689716
2-benzamido-4-(3-chloro-4-fluorophenyl)benzoic acid
CID 67341971
N-(3-benzamido-4-chlorophenyl)-2-fluorobenzamide
CID 1104031
4-benzamido-N-(2-chloro-4-fluorophenyl)benzamide
CID 30705488
3-(4-benzamido-3-fluorophenyl)prop-2-enoic acid
CID 76907482
N-(2,3-difluorophenyl)benzamide
CID 139202270

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-fluoro-5-(2-sulfanylphenyl)phenyl]benzamide?
The IUPAC name of N-[4-chloro-2-fluoro-5-(2-sulfanylphenyl)phenyl]benzamide (CID 139689712) is N-[4-chloro-2-fluoro-5-(2-sulfanylphenyl)phenyl]benzamide.
What is the SMILES notation for N-[4-chloro-2-fluoro-5-(2-sulfanylphenyl)phenyl]benzamide?
The canonical SMILES for N-[4-chloro-2-fluoro-5-(2-sulfanylphenyl)phenyl]benzamide is O=C(Nc1cc(-c2ccccc2S)c(Cl)cc1F)c1ccccc1.
What is the InChIKey of N-[4-chloro-2-fluoro-5-(2-sulfanylphenyl)phenyl]benzamide?
The InChIKey is CIUROVORHAYZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFNOS/c20-15-11-16(21)17(22-19(23)12-6-2-1-3-7-12)10-14(15)13-8-4-5-9-18(13)24/h1-11,24H,(H,22,23).
What are the key properties of N-[4-chloro-2-fluoro-5-(2-sulfanylphenyl)phenyl]benzamide?
N-[4-chloro-2-fluoro-5-(2-sulfanylphenyl)phenyl]benzamide has a molecular weight of 357.84 g/mol, XLogP of 5.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-fluoro-5-(2-sulfanylphenyl)phenyl]benzamide is sourced from PubChem (CID 139689712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).