N-[1-(3-acetylphenyl)ethyl]-2,6-dichlorobenzamide

C17H15Cl2NO2 — CID 123228941

IUPACN-[1-(3-acetylphenyl)ethyl]-2,6-dichlorobenzamide
SMILESCC(=O)c1cccc(C(C)NC(=O)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H15Cl2NO2/c1-10(12-5-3-6-13(9-12)11(2)21)20-17(22)16-14(18)7-4-8-15(16)19/h3-10H,1-2H3,(H,20,22)
InChIKeyAUHGBQVQZXLJBR-UHFFFAOYSA-N
MW336.22 g/mol
LogP4.69
Rot. Bonds4

About N-[1-(3-acetylphenyl)ethyl]-2,6-dichlorobenzamide

N-[1-(3-acetylphenyl)ethyl]-2,6-dichlorobenzamide (PubChem CID 123228941) has the molecular formula C17H15Cl2NO2 and a molecular weight of 336.22 g/mol. Its IUPAC name is N-[1-(3-acetylphenyl)ethyl]-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-[1-(3-acetylphenyl)ethyl]-2,6-dichlorobenzamide
PubChem CID123228941
Molecular FormulaC17H15Cl2NO2
Molecular Weight336.22 g/mol
Exact Mass335.05
IUPAC NameN-[1-(3-acetylphenyl)ethyl]-2,6-dichlorobenzamide
SMILESCC(=O)c1cccc(C(C)NC(=O)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H15Cl2NO2/c1-10(12-5-3-6-13(9-12)11(2)21)20-17(22)16-14(18)7-4-8-15(16)19/h3-10H,1-2H3,(H,20,22)
InChIKeyAUHGBQVQZXLJBR-UHFFFAOYSA-N
XLogP4.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 112791671
N-[1-(4-acetylphenyl)ethyl]-2-chlorobenzamide
CID 123643461
2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856631
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]benzamide
CID 793526
N-[3-[1-[1-(2-chlorophenyl)ethylcarbamoylamino]ethyl]phenyl]acetamide
CID 71897814
N-[1-(3-chlorophenyl)ethyl]-3-sulfanylbenzamide
CID 107025485
2-amino-6-chloro-N-(1-pyridin-3-ylethyl)benzamide
CID 63660235
2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid
CID 43079894
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
2,6-dichloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide
CID 87120690
N-[1-(3-aminophenyl)ethyl]benzamide
CID 43297605

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetylphenyl)ethyl]-2,6-dichlorobenzamide?
The IUPAC name of N-[1-(3-acetylphenyl)ethyl]-2,6-dichlorobenzamide (CID 123228941) is N-[1-(3-acetylphenyl)ethyl]-2,6-dichlorobenzamide.
What is the SMILES notation for N-[1-(3-acetylphenyl)ethyl]-2,6-dichlorobenzamide?
The canonical SMILES for N-[1-(3-acetylphenyl)ethyl]-2,6-dichlorobenzamide is CC(=O)c1cccc(C(C)NC(=O)c2c(Cl)cccc2Cl)c1.
What is the InChIKey of N-[1-(3-acetylphenyl)ethyl]-2,6-dichlorobenzamide?
The InChIKey is AUHGBQVQZXLJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO2/c1-10(12-5-3-6-13(9-12)11(2)21)20-17(22)16-14(18)7-4-8-15(16)19/h3-10H,1-2H3,(H,20,22).
What are the key properties of N-[1-(3-acetylphenyl)ethyl]-2,6-dichlorobenzamide?
N-[1-(3-acetylphenyl)ethyl]-2,6-dichlorobenzamide has a molecular weight of 336.22 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetylphenyl)ethyl]-2,6-dichlorobenzamide is sourced from PubChem (CID 123228941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).