2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dithiepan-2-ylmethyl)acetamide

C15H19Cl2NOS2 — CID 21403914

IUPAC2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dithiepan-2-ylmethyl)acetamide
SMILESCc1cc(Cl)ccc1N(CC1SCCCCS1)C(=O)CCl
InChIInChI=1S/C15H19Cl2NOS2/c1-11-8-12(17)4-5-13(11)18(14(19)9-16)10-15-20-6-2-3-7-21-15/h4-5,8,15H,2-3,6-7,9-10H2,1H3
InChIKeyHIJHXOQRTMWROU-UHFFFAOYSA-N
MW364.36 g/mol
LogP4.81
Rot. Bonds4

About 2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dithiepan-2-ylmethyl)acetamide

2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dithiepan-2-ylmethyl)acetamide (PubChem CID 21403914) has the molecular formula C15H19Cl2NOS2 and a molecular weight of 364.36 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dithiepan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dithiepan-2-ylmethyl)acetamide
PubChem CID21403914
Molecular FormulaC15H19Cl2NOS2
Molecular Weight364.36 g/mol
Exact Mass363.03
IUPAC Name2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dithiepan-2-ylmethyl)acetamide
SMILESCc1cc(Cl)ccc1N(CC1SCCCCS1)C(=O)CCl
InChIInChI=1S/C15H19Cl2NOS2/c1-11-8-12(17)4-5-13(11)18(14(19)9-16)10-15-20-6-2-3-7-21-15/h4-5,8,15H,2-3,6-7,9-10H2,1H3
InChIKeyHIJHXOQRTMWROU-UHFFFAOYSA-N
XLogP4.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dithiepan-2-ylmethyl)acetamide 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

2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dioxan-2-ylmethyl)acetamide
CID 21403865
N-benzyl-2-chloro-N-(4-chloro-2-methylphenyl)acetamide
CID 39443973
2-chloro-N-(1,3-dithiolan-2-ylmethyl)-N-(2-methoxy-6-methylphenyl)acetamide
CID 21403983
N-(4-chloro-2-methylphenyl)-N-ethylcarbamate
CID 57352737
2-chloro-N-(2,4-dimethylphenyl)-N-ethylacetamide
CID 131561562
2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide
CID 82082325
(4-chloro-2-methylphenyl)-prop-2-enylcarbamic acid
CID 69481778
4-chloro-N,N-bis(2-chloroethyl)-2-methylaniline
CID 98591830
ethyl N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]carbamate
CID 113059937
2-(5-chloro-N-(2-chloroacetyl)-2-methylanilino)-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 4230737
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]oxolane-2-carboxamide
CID 113059887
2-chloro-N-(4-chlorophenyl)-N-ethylacetamide
CID 15045863

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dithiepan-2-ylmethyl)acetamide?
The IUPAC name of 2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dithiepan-2-ylmethyl)acetamide (CID 21403914) is 2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dithiepan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dithiepan-2-ylmethyl)acetamide?
The canonical SMILES for 2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dithiepan-2-ylmethyl)acetamide is Cc1cc(Cl)ccc1N(CC1SCCCCS1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dithiepan-2-ylmethyl)acetamide?
The InChIKey is HIJHXOQRTMWROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NOS2/c1-11-8-12(17)4-5-13(11)18(14(19)9-16)10-15-20-6-2-3-7-21-15/h4-5,8,15H,2-3,6-7,9-10H2,1H3.
What are the key properties of 2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dithiepan-2-ylmethyl)acetamide?
2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dithiepan-2-ylmethyl)acetamide has a molecular weight of 364.36 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dithiepan-2-ylmethyl)acetamide is sourced from PubChem (CID 21403914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).