N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(methoxymethyl)benzamide

C21H26ClNO2 — CID 60621749

IUPACN-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(methoxymethyl)benzamide
SMILESCCC(CC)(CNC(=O)c1ccccc1COC)c1ccc(Cl)cc1
InChIInChI=1S/C21H26ClNO2/c1-4-21(5-2,17-10-12-18(22)13-11-17)15-23-20(24)19-9-7-6-8-16(19)14-25-3/h6-13H,4-5,14-15H2,1-3H3,(H,23,24)
InChIKeyQJBZOYHTQVHKAT-UHFFFAOYSA-N
MW359.90 g/mol
LogP4.97
Rot. Bonds8

About N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(methoxymethyl)benzamide

N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(methoxymethyl)benzamide (PubChem CID 60621749) has the molecular formula C21H26ClNO2 and a molecular weight of 359.90 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(methoxymethyl)benzamide
PubChem CID60621749
Molecular FormulaC21H26ClNO2
Molecular Weight359.90 g/mol
Exact Mass359.17
IUPAC NameN-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(methoxymethyl)benzamide
SMILESCCC(CC)(CNC(=O)c1ccccc1COC)c1ccc(Cl)cc1
InChIInChI=1S/C21H26ClNO2/c1-4-21(5-2,17-10-12-18(22)13-11-17)15-23-20(24)19-9-7-6-8-16(19)14-25-3/h6-13H,4-5,14-15H2,1-3H3,(H,23,24)
InChIKeyQJBZOYHTQVHKAT-UHFFFAOYSA-N
XLogP4.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-bis(methoxymethyl)benzamide
CID 91153220
2,3-dichloro-N-[2-ethyl-2-(4-methoxyphenyl)butyl]benzamide
CID 144603664
N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(2-hydroxyphenyl)propanamide
CID 60621631
4-acetamido-N-[2-(4-chlorophenyl)-2-ethylbutyl]benzamide
CID 60621325
2-(methoxymethyl)-N-methylbenzamide
CID 60753373
N-[3-(hydroxymethyl)pentan-3-yl]-2-(methoxymethyl)benzamide
CID 62519943
N-[2-(4-chlorophenyl)-2-ethylbutyl]-1H-pyrazole-5-carboxamide
CID 60621598
2-(methoxymethyl)-N-[[3-[[[2-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 121289726
1-amino-N-[2-(4-chlorophenyl)-2-ethylbutyl]cyclopropane-1-carboxamide
CID 119768490
N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-methylsulfonylbenzamide
CID 60621661
N-(2-hydroxy-3-methylbutyl)-2-(methoxymethyl)benzamide
CID 113258914
N-(6-hydroxyhexyl)-2-(methoxymethyl)benzamide
CID 103919534

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(methoxymethyl)benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(methoxymethyl)benzamide (CID 60621749) is N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(methoxymethyl)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(methoxymethyl)benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(methoxymethyl)benzamide is CCC(CC)(CNC(=O)c1ccccc1COC)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(methoxymethyl)benzamide?
The InChIKey is QJBZOYHTQVHKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO2/c1-4-21(5-2,17-10-12-18(22)13-11-17)15-23-20(24)19-9-7-6-8-16(19)14-25-3/h6-13H,4-5,14-15H2,1-3H3,(H,23,24).
What are the key properties of N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(methoxymethyl)benzamide?
N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(methoxymethyl)benzamide has a molecular weight of 359.90 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(methoxymethyl)benzamide is sourced from PubChem (CID 60621749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).