4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide

C21H18Cl3NOS — CID 42703013

IUPAC4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccsc1CN(CCc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H18Cl3NOS/c1-14-9-11-27-20(14)13-25(21(26)16-3-5-17(22)6-4-16)10-8-15-2-7-18(23)12-19(15)24/h2-7,9,11-12H,8,10,13H2,1H3
InChIKeyVGZYQYNKLZYNJQ-UHFFFAOYSA-N
MW438.81 g/mol
LogP6.90
Rot. Bonds6

About 4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide

4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide (PubChem CID 42703013) has the molecular formula C21H18Cl3NOS and a molecular weight of 438.81 g/mol. Its IUPAC name is 4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
PubChem CID42703013
Molecular FormulaC21H18Cl3NOS
Molecular Weight438.81 g/mol
Exact Mass437.02
IUPAC Name4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccsc1CN(CCc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H18Cl3NOS/c1-14-9-11-27-20(14)13-25(21(26)16-3-5-17(22)6-4-16)10-8-15-2-7-18(23)12-19(15)24/h2-7,9,11-12H,8,10,13H2,1H3
InChIKeyVGZYQYNKLZYNJQ-UHFFFAOYSA-N
XLogP6.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.81
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide
CID 42709410
N-(anthracen-9-ylmethyl)-N-[2-(2,4-dichlorophenyl)ethyl]-4-methyl-3-nitrobenzamide
CID 42697551
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3,5-dichloro-N-(2-methoxyethyl)benzamide
CID 42776528
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 42709415
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 4082889
N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 29051396
N-benzyl-2-[(2,4-dichlorophenyl)carbamoyl-(3-methoxypropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 3271245
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide
CID 57456389
N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 46994975
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methylphenyl)methyl]-2-phenylbutanamide
CID 42709041
N-(2-methoxyethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 50955298
N-[2-(2,4-dichlorophenyl)ethyl]-2,2-dimethyl-N-[(4-nitrophenyl)methyl]propanamide
CID 1061069

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide (CID 42703013) is 4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide is Cc1ccsc1CN(CCc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is VGZYQYNKLZYNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl3NOS/c1-14-9-11-27-20(14)13-25(21(26)16-3-5-17(22)6-4-16)10-8-15-2-7-18(23)12-19(15)24/h2-7,9,11-12H,8,10,13H2,1H3.
What are the key properties of 4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide?
4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 438.81 g/mol, XLogP of 6.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 42703013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).