N-(5-chloro-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide

C17H16ClNOS2 — CID 8502374

IUPACN-(5-chloro-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(C2SCCS2)cc1
InChIInChI=1S/C17H16ClNOS2/c1-11-2-7-14(18)10-15(11)19-16(20)12-3-5-13(6-4-12)17-21-8-9-22-17/h2-7,10,17H,8-9H2,1H3,(H,19,20)
InChIKeyZWQRFDIHDXDYLO-UHFFFAOYSA-N
MW349.91 g/mol
LogP5.38
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide

N-(5-chloro-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide (PubChem CID 8502374) has the molecular formula C17H16ClNOS2 and a molecular weight of 349.91 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide
PubChem CID8502374
Molecular FormulaC17H16ClNOS2
Molecular Weight349.91 g/mol
Exact Mass349.04
IUPAC NameN-(5-chloro-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(C2SCCS2)cc1
InChIInChI=1S/C17H16ClNOS2/c1-11-2-7-14(18)10-15(11)19-16(20)12-3-5-13(6-4-12)17-21-8-9-22-17/h2-7,10,17H,8-9H2,1H3,(H,19,20)
InChIKeyZWQRFDIHDXDYLO-UHFFFAOYSA-N
XLogP5.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.91
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-chloro-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,3-dithiolan-2-yl)-N-(2-fluoro-5-methylphenyl)benzamide
CID 26881926
N-(4,5-dimethoxy-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide
CID 40600054
4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 30473938
N-(5-chloro-2-methylphenyl)-3,5-dimethylbenzamide
CID 918666
N-(5-chloro-2-methylphenyl)-4-(ethylamino)benzamide
CID 62185728
N-(5-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333228
4-(4-acetylpiperazine-1-carbonyl)-N-(5-chloro-2-methylphenyl)benzamide
CID 109046500
N-(5-chloro-2-methylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044656
N-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41453282
1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050783
N-(5-chloro-2-methylphenyl)-4-(trifluoromethoxy)benzamide
CID 2107466

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide (CID 8502374) is N-(5-chloro-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide is Cc1ccc(Cl)cc1NC(=O)c1ccc(C2SCCS2)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide?
The InChIKey is ZWQRFDIHDXDYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNOS2/c1-11-2-7-14(18)10-15(11)19-16(20)12-3-5-13(6-4-12)17-21-8-9-22-17/h2-7,10,17H,8-9H2,1H3,(H,19,20).
What are the key properties of N-(5-chloro-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide?
N-(5-chloro-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide has a molecular weight of 349.91 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide is sourced from PubChem (CID 8502374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).