N-(3,4-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide

C14H11Cl2NOS — CID 107020559

IUPACN-(3,4-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide
SMILESO=C(Cc1ccc(S)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2NOS/c15-12-6-3-10(8-13(12)16)17-14(18)7-9-1-4-11(19)5-2-9/h1-6,8,19H,7H2,(H,17,18)
InChIKeyWFXVRTUXKYZXJP-UHFFFAOYSA-N
MW312.22 g/mol
LogP4.46
Rot. Bonds3

About N-(3,4-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide

N-(3,4-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide (PubChem CID 107020559) has the molecular formula C14H11Cl2NOS and a molecular weight of 312.22 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide
PubChem CID107020559
Molecular FormulaC14H11Cl2NOS
Molecular Weight312.22 g/mol
Exact Mass310.99
IUPAC NameN-(3,4-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide
SMILESO=C(Cc1ccc(S)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2NOS/c15-12-6-3-10(8-13(12)16)17-14(18)7-9-1-4-11(19)5-2-9/h1-6,8,19H,7H2,(H,17,18)
InChIKeyWFXVRTUXKYZXJP-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 54.46
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

N-(3,4-dichlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 18270009
N-(2,5-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107019725
2-(3,4-dichlorophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 8743954
N-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 2448530
N-(3,4-dichlorophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119394
N-(2,6-dichloro-4-fluorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107033961
N-(4-chloro-3-hydroxyphenyl)-2-(4-hydroxyphenyl)acetamide
CID 64788064
N-(4-bromophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 2598783
2-(3,4-dichlorophenyl)-N-naphthalen-2-ylacetamide
CID 7900527
N-(4-fluoro-3-methylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107028667
N-(3-chloro-4-hydroxyphenyl)-2-pyridin-4-ylacetamide
CID 64787327
2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 1211554

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide (CID 107020559) is N-(3,4-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide is O=C(Cc1ccc(S)cc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide?
The InChIKey is WFXVRTUXKYZXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NOS/c15-12-6-3-10(8-13(12)16)17-14(18)7-9-1-4-11(19)5-2-9/h1-6,8,19H,7H2,(H,17,18).
What are the key properties of N-(3,4-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide?
N-(3,4-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide has a molecular weight of 312.22 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107020559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).