N-benzyl-2-(3,4-dichlorophenyl)propanamide

C16H15Cl2NO — CID 70541496

IUPACN-benzyl-2-(3,4-dichlorophenyl)propanamide
SMILESCC(C(=O)NCc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2NO/c1-11(13-7-8-14(17)15(18)9-13)16(20)19-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeySTZPTCREOOTAKE-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.41
Rot. Bonds4

About N-benzyl-2-(3,4-dichlorophenyl)propanamide

N-benzyl-2-(3,4-dichlorophenyl)propanamide (PubChem CID 70541496) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is N-benzyl-2-(3,4-dichlorophenyl)propanamide.

Molecular Properties

Compound NameN-benzyl-2-(3,4-dichlorophenyl)propanamide
PubChem CID70541496
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC NameN-benzyl-2-(3,4-dichlorophenyl)propanamide
SMILESCC(C(=O)NCc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2NO/c1-11(13-7-8-14(17)15(18)9-13)16(20)19-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeySTZPTCREOOTAKE-UHFFFAOYSA-N
XLogP4.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Saredutant
CID 104974
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
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4-Chloro-N-phenethylbenzamide
CID 306479
N-[(4-chlorophenyl)methyl]-4-ethylbenzamide
CID 2097068
3,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 2807080
2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 4545429
N-[4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
CID 9850582
3-(3,4-Dichloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1,3,4,7-tetrahydro-azepin-2-one
CID 22573205
2-Chloro-N-(2-phenyl-propyl)-benzamide
CID 3116854
N-[2-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 24684626
3,4-dichloro-N-propylbenzamide
CID 346715
3,4-dichloro-N-(pentan-2-yl)benzamide
CID 346721

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,4-dichlorophenyl)propanamide?
The IUPAC name of N-benzyl-2-(3,4-dichlorophenyl)propanamide (CID 70541496) is N-benzyl-2-(3,4-dichlorophenyl)propanamide.
What is the SMILES notation for N-benzyl-2-(3,4-dichlorophenyl)propanamide?
The canonical SMILES for N-benzyl-2-(3,4-dichlorophenyl)propanamide is CC(C(=O)NCc1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-benzyl-2-(3,4-dichlorophenyl)propanamide?
The InChIKey is STZPTCREOOTAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-11(13-7-8-14(17)15(18)9-13)16(20)19-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,19,20).
What are the key properties of N-benzyl-2-(3,4-dichlorophenyl)propanamide?
N-benzyl-2-(3,4-dichlorophenyl)propanamide has a molecular weight of 308.21 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,4-dichlorophenyl)propanamide is sourced from PubChem (CID 70541496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).