2-chloro-5-[2-(2-chloroethoxy)ethoxy]-N-(cyclooctylmethyl)benzamide;methane

C22H37Cl2NO3 — CID 173256832

IUPAC2-chloro-5-[2-(2-chloroethoxy)ethoxy]-N-(cyclooctylmethyl)benzamide;methane
SMILESC.C.O=C(NCC1CCCCCCC1)c1cc(OCCOCCCl)ccc1Cl
InChIInChI=1S/C20H29Cl2NO3.2CH4/c21-10-11-25-12-13-26-17-8-9-19(22)18(14-17)20(24)23-15-16-6-4-2-1-3-5-7-16;;/h8-9,14,16H,1-7,10-13,15H2,(H,23,24);2*1H4
InChIKeyKPAZXZUUTSRQKC-UHFFFAOYSA-N
MW434.45 g/mol
LogP6.34
Rot. Bonds9

About 2-chloro-5-[2-(2-chloroethoxy)ethoxy]-N-(cyclooctylmethyl)benzamide;methane

2-chloro-5-[2-(2-chloroethoxy)ethoxy]-N-(cyclooctylmethyl)benzamide;methane (PubChem CID 173256832) has the molecular formula C22H37Cl2NO3 and a molecular weight of 434.45 g/mol. Its IUPAC name is 2-chloro-5-[2-(2-chloroethoxy)ethoxy]-N-(cyclooctylmethyl)benzamide;methane.

Molecular Properties

Compound Name2-chloro-5-[2-(2-chloroethoxy)ethoxy]-N-(cyclooctylmethyl)benzamide;methane
PubChem CID173256832
Molecular FormulaC22H37Cl2NO3
Molecular Weight434.45 g/mol
Exact Mass433.22
IUPAC Name2-chloro-5-[2-(2-chloroethoxy)ethoxy]-N-(cyclooctylmethyl)benzamide;methane
SMILESC.C.O=C(NCC1CCCCCCC1)c1cc(OCCOCCCl)ccc1Cl
InChIInChI=1S/C20H29Cl2NO3.2CH4/c21-10-11-25-12-13-26-17-8-9-19(22)18(14-17)20(24)23-15-16-6-4-2-1-3-5-7-16;;/h8-9,14,16H,1-7,10-13,15H2,(H,23,24);2*1H4
InChIKeyKPAZXZUUTSRQKC-UHFFFAOYSA-N
XLogP6.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.45
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-5-[2-(2-chloroethoxy)ethoxy]-N-(cyclooctylmethyl)benzamide;methane 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

5-amino-2-chloro-N-(cyclohexylmethyl)benzamide
CID 43371364
2-chloro-N-(cyclooctylmethyl)-5-iodobenzamide
CID 173122018
4-chloro-3-(cyclohexylmethylcarbamoyl)benzenesulfonyl chloride
CID 65371129
5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 38655696
2-chloro-N-(cyclohexylmethyl)-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide
CID 137152554
2-chloro-N-(cyclooctylmethyl)-5-piperazin-1-ylbenzamide;methane
CID 173258924
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
2,3-dichloro-N-(cyclohexylmethyl)benzamide
CID 23019884
4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
CID 81225483
2-chloro-N-(cyclobutylmethyl)furan-3-carboxamide
CID 106685401
2-amino-3-chloro-N-(cyclopentylmethyl)benzamide
CID 115540050
5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106119078

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(2-chloroethoxy)ethoxy]-N-(cyclooctylmethyl)benzamide;methane?
The IUPAC name of 2-chloro-5-[2-(2-chloroethoxy)ethoxy]-N-(cyclooctylmethyl)benzamide;methane (CID 173256832) is 2-chloro-5-[2-(2-chloroethoxy)ethoxy]-N-(cyclooctylmethyl)benzamide;methane.
What is the SMILES notation for 2-chloro-5-[2-(2-chloroethoxy)ethoxy]-N-(cyclooctylmethyl)benzamide;methane?
The canonical SMILES for 2-chloro-5-[2-(2-chloroethoxy)ethoxy]-N-(cyclooctylmethyl)benzamide;methane is C.C.O=C(NCC1CCCCCCC1)c1cc(OCCOCCCl)ccc1Cl.
What is the InChIKey of 2-chloro-5-[2-(2-chloroethoxy)ethoxy]-N-(cyclooctylmethyl)benzamide;methane?
The InChIKey is KPAZXZUUTSRQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29Cl2NO3.2CH4/c21-10-11-25-12-13-26-17-8-9-19(22)18(14-17)20(24)23-15-16-6-4-2-1-3-5-7-16;;/h8-9,14,16H,1-7,10-13,15H2,(H,23,24);2*1H4.
What are the key properties of 2-chloro-5-[2-(2-chloroethoxy)ethoxy]-N-(cyclooctylmethyl)benzamide;methane?
2-chloro-5-[2-(2-chloroethoxy)ethoxy]-N-(cyclooctylmethyl)benzamide;methane has a molecular weight of 434.45 g/mol, XLogP of 6.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(2-chloroethoxy)ethoxy]-N-(cyclooctylmethyl)benzamide;methane is sourced from PubChem (CID 173256832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).