3-[benzyl(propyl)amino]-N-(2,6-dichlorophenyl)propanamide

C19H22Cl2N2O — CID 55482442

IUPAC3-[benzyl(propyl)amino]-N-(2,6-dichlorophenyl)propanamide
SMILESCCCN(CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccccc1
InChIInChI=1S/C19H22Cl2N2O/c1-2-12-23(14-15-7-4-3-5-8-15)13-11-18(24)22-19-16(20)9-6-10-17(19)21/h3-10H,2,11-14H2,1H3,(H,22,24)
InChIKeyYNEZNNFNWSGPQI-UHFFFAOYSA-N
MW365.30 g/mol
LogP5.23
Rot. Bonds8

About 3-[benzyl(propyl)amino]-N-(2,6-dichlorophenyl)propanamide

3-[benzyl(propyl)amino]-N-(2,6-dichlorophenyl)propanamide (PubChem CID 55482442) has the molecular formula C19H22Cl2N2O and a molecular weight of 365.30 g/mol. Its IUPAC name is 3-[benzyl(propyl)amino]-N-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[benzyl(propyl)amino]-N-(2,6-dichlorophenyl)propanamide
PubChem CID55482442
Molecular FormulaC19H22Cl2N2O
Molecular Weight365.30 g/mol
Exact Mass364.11
IUPAC Name3-[benzyl(propyl)amino]-N-(2,6-dichlorophenyl)propanamide
SMILESCCCN(CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccccc1
InChIInChI=1S/C19H22Cl2N2O/c1-2-12-23(14-15-7-4-3-5-8-15)13-11-18(24)22-19-16(20)9-6-10-17(19)21/h3-10H,2,11-14H2,1H3,(H,22,24)
InChIKeyYNEZNNFNWSGPQI-UHFFFAOYSA-N
XLogP5.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.30
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dichlorophenyl)-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propanamide
CID 87018474
3-[benzyl(2-hydroxyethyl)amino]-N-(2-chlorophenyl)propanamide
CID 3787915
3-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)propanamide
CID 24588994
3-[acetyl(3-phenylpropyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113122328
N-(2,6-diethylphenyl)-3-(dipropylamino)propanamide
CID 109033127
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
3-(dipropylamino)-N-phenylpropanamide
CID 52579960
3-[benzhydryl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 24588780
N-(2-chlorophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide
CID 60774874
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113120713
2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]propanoic acid
CID 62637976
methyl 2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]acetate
CID 60706675

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(propyl)amino]-N-(2,6-dichlorophenyl)propanamide?
The IUPAC name of 3-[benzyl(propyl)amino]-N-(2,6-dichlorophenyl)propanamide (CID 55482442) is 3-[benzyl(propyl)amino]-N-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[benzyl(propyl)amino]-N-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for 3-[benzyl(propyl)amino]-N-(2,6-dichlorophenyl)propanamide is CCCN(CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(propyl)amino]-N-(2,6-dichlorophenyl)propanamide?
The InChIKey is YNEZNNFNWSGPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O/c1-2-12-23(14-15-7-4-3-5-8-15)13-11-18(24)22-19-16(20)9-6-10-17(19)21/h3-10H,2,11-14H2,1H3,(H,22,24).
What are the key properties of 3-[benzyl(propyl)amino]-N-(2,6-dichlorophenyl)propanamide?
3-[benzyl(propyl)amino]-N-(2,6-dichlorophenyl)propanamide has a molecular weight of 365.30 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(propyl)amino]-N-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 55482442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).