3-[acetyl(3-phenylpropyl)amino]-N-(3,4-dichlorophenyl)propanamide

C20H22Cl2N2O2 — CID 113122324

IUPAC3-[acetyl(3-phenylpropyl)amino]-N-(3,4-dichlorophenyl)propanamide
SMILESCC(=O)N(CCCc1ccccc1)CCC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H22Cl2N2O2/c1-15(25)24(12-5-8-16-6-3-2-4-7-16)13-11-20(26)23-17-9-10-18(21)19(22)14-17/h2-4,6-7,9-10,14H,5,8,11-13H2,1H3,(H,23,26)
InChIKeyBLZGHCWVGSDOPH-UHFFFAOYSA-N
MW393.31 g/mol
LogP4.80
Rot. Bonds8

About 3-[acetyl(3-phenylpropyl)amino]-N-(3,4-dichlorophenyl)propanamide

3-[acetyl(3-phenylpropyl)amino]-N-(3,4-dichlorophenyl)propanamide (PubChem CID 113122324) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 3-[acetyl(3-phenylpropyl)amino]-N-(3,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(3-phenylpropyl)amino]-N-(3,4-dichlorophenyl)propanamide
PubChem CID113122324
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name3-[acetyl(3-phenylpropyl)amino]-N-(3,4-dichlorophenyl)propanamide
SMILESCC(=O)N(CCCc1ccccc1)CCC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H22Cl2N2O2/c1-15(25)24(12-5-8-16-6-3-2-4-7-16)13-11-20(26)23-17-9-10-18(21)19(22)14-17/h2-4,6-7,9-10,14H,5,8,11-13H2,1H3,(H,23,26)
InChIKeyBLZGHCWVGSDOPH-UHFFFAOYSA-N
XLogP4.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(3-phenylpropyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113122328
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dichlorophenyl)propanamide
CID 113117622
3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113120836
3-[acetyl(3-phenylpropyl)amino]-N-(2-chloro-4,6-dimethylphenyl)propanamide
CID 113122292
3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide
CID 113120810
3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide
CID 113120822
3-[acetyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)propanamide
CID 113120818
N-(4-chlorophenyl)-3-[methyl(3-phenylpropyl)amino]propanamide
CID 55850747
4-[bis(3-phenylpropyl)carbamoyl]-5-(3,4-dichloroanilino)-5-oxopentanoic acid
CID 10554791
3-[acetyl(3-phenylpropyl)amino]-N-(2-cyanophenyl)propanamide
CID 113122330
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113121161
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113120459

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(3-phenylpropyl)amino]-N-(3,4-dichlorophenyl)propanamide?
The IUPAC name of 3-[acetyl(3-phenylpropyl)amino]-N-(3,4-dichlorophenyl)propanamide (CID 113122324) is 3-[acetyl(3-phenylpropyl)amino]-N-(3,4-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl(3-phenylpropyl)amino]-N-(3,4-dichlorophenyl)propanamide?
The canonical SMILES for 3-[acetyl(3-phenylpropyl)amino]-N-(3,4-dichlorophenyl)propanamide is CC(=O)N(CCCc1ccccc1)CCC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[acetyl(3-phenylpropyl)amino]-N-(3,4-dichlorophenyl)propanamide?
The InChIKey is BLZGHCWVGSDOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-15(25)24(12-5-8-16-6-3-2-4-7-16)13-11-20(26)23-17-9-10-18(21)19(22)14-17/h2-4,6-7,9-10,14H,5,8,11-13H2,1H3,(H,23,26).
What are the key properties of 3-[acetyl(3-phenylpropyl)amino]-N-(3,4-dichlorophenyl)propanamide?
3-[acetyl(3-phenylpropyl)amino]-N-(3,4-dichlorophenyl)propanamide has a molecular weight of 393.31 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(3-phenylpropyl)amino]-N-(3,4-dichlorophenyl)propanamide is sourced from PubChem (CID 113122324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).