N-[2-(3,4-dichlorophenyl)propyl]-N-methylbenzamide

C17H17Cl2NO — CID 22405750

IUPACN-[2-(3,4-dichlorophenyl)propyl]-N-methylbenzamide
SMILESCC(CN(C)C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2NO/c1-12(14-8-9-15(18)16(19)10-14)11-20(2)17(21)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3
InChIKeyWYUGKNZFUKQLTA-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.87
Rot. Bonds4

About N-[2-(3,4-dichlorophenyl)propyl]-N-methylbenzamide

N-[2-(3,4-dichlorophenyl)propyl]-N-methylbenzamide (PubChem CID 22405750) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)propyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)propyl]-N-methylbenzamide
PubChem CID22405750
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC NameN-[2-(3,4-dichlorophenyl)propyl]-N-methylbenzamide
SMILESCC(CN(C)C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2NO/c1-12(14-8-9-15(18)16(19)10-14)11-20(2)17(21)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3
InChIKeyWYUGKNZFUKQLTA-UHFFFAOYSA-N
XLogP4.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3,4-dichlorophenyl)but-3-enyl]-N-methylbenzamide
CID 19066418
N-[4-[4-[benzoyl-(1-methylpiperidin-4-yl)amino]piperidin-1-yl]-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
CID 69113639
N-[4-[4-[benzoyl(cyclohexyl)amino]piperidin-1-yl]-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
CID 69113868
N-[2-(3,4-dichlorophenyl)-4-(oxan-2-yloxy)butyl]-N-methylbenzamide
CID 22137536
N-[(2S)-2-(3,4-dichlorophenyl)-4-oxobutyl]-N,3-dimethylbenzamide
CID 54275892
N-[2-(3,4-dichlorophenyl)-4-oxobutyl]-N-ethylbenzamide
CID 22137550
N-[2-(3,4-dichlorophenyl)-4-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide
CID 19366950
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]benzamide
CID 793526
3,5-dichloro-N-[(2S)-2-(3,4-dichlorophenyl)-4-oxobutyl]-N-methylbenzamide
CID 54492746
N-[(2S)-2-(3,4-dichlorophenyl)-4-(4-pyridin-2-ylpiperidin-1-yl)butyl]-N-methylbenzamide;hydrochloride
CID 67713411
N-[4-[4-[cyclopropanecarbonyl-(1-methylpiperidin-4-yl)amino]piperidin-1-yl]-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
CID 24738074

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)propyl]-N-methylbenzamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)propyl]-N-methylbenzamide (CID 22405750) is N-[2-(3,4-dichlorophenyl)propyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)propyl]-N-methylbenzamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)propyl]-N-methylbenzamide is CC(CN(C)C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)propyl]-N-methylbenzamide?
The InChIKey is WYUGKNZFUKQLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-12(14-8-9-15(18)16(19)10-14)11-20(2)17(21)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3.
What are the key properties of N-[2-(3,4-dichlorophenyl)propyl]-N-methylbenzamide?
N-[2-(3,4-dichlorophenyl)propyl]-N-methylbenzamide has a molecular weight of 322.24 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)propyl]-N-methylbenzamide is sourced from PubChem (CID 22405750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).