3-[acetyl(propyl)amino]-N-(2,4-dichlorophenyl)propanamide

C14H18Cl2N2O2 — CID 113115094

IUPAC3-[acetyl(propyl)amino]-N-(2,4-dichlorophenyl)propanamide
SMILESCCCN(CCC(=O)Nc1ccc(Cl)cc1Cl)C(C)=O
InChIInChI=1S/C14H18Cl2N2O2/c1-3-7-18(10(2)19)8-6-14(20)17-13-5-4-11(15)9-12(13)16/h4-5,9H,3,6-8H2,1-2H3,(H,17,20)
InChIKeyRSSPVLPDLUNGOP-UHFFFAOYSA-N
MW317.22 g/mol
LogP3.58
Rot. Bonds6

About 3-[acetyl(propyl)amino]-N-(2,4-dichlorophenyl)propanamide

3-[acetyl(propyl)amino]-N-(2,4-dichlorophenyl)propanamide (PubChem CID 113115094) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 3-[acetyl(propyl)amino]-N-(2,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(propyl)amino]-N-(2,4-dichlorophenyl)propanamide
PubChem CID113115094
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name3-[acetyl(propyl)amino]-N-(2,4-dichlorophenyl)propanamide
SMILESCCCN(CCC(=O)Nc1ccc(Cl)cc1Cl)C(C)=O
InChIInChI=1S/C14H18Cl2N2O2/c1-3-7-18(10(2)19)8-6-14(20)17-13-5-4-11(15)9-12(13)16/h4-5,9H,3,6-8H2,1-2H3,(H,17,20)
InChIKeyRSSPVLPDLUNGOP-UHFFFAOYSA-N
XLogP3.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(3-methoxypropyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113117231
3-(2,4-dichlorophenyl)-1,1-dipropylurea
CID 3499106
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dichlorophenyl)propanamide
CID 113117624
3-[acetyl(propyl)amino]-N-(3-chloro-2-methylphenyl)propanamide
CID 113115032
3-[acetyl(butyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 113115887
methyl 3-[3-[acetyl(propyl)amino]propanoylamino]-4-chlorobenzoate
CID 113115063
3-[acetyl(butyl)amino]-N-(2-chlorophenyl)propanamide
CID 113115826
3-[butyl(methylsulfonyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113136795
(2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide
CID 119267913
N-(2,4-dichlorophenyl)propanamide
CID 923083
N-(2,4-dichlorophenyl)-3-(N-ethylanilino)propanamide
CID 109036579
N-(2,5-dichlorophenyl)-3-(dipropylamino)propanamide
CID 52579958

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(propyl)amino]-N-(2,4-dichlorophenyl)propanamide?
The IUPAC name of 3-[acetyl(propyl)amino]-N-(2,4-dichlorophenyl)propanamide (CID 113115094) is 3-[acetyl(propyl)amino]-N-(2,4-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl(propyl)amino]-N-(2,4-dichlorophenyl)propanamide?
The canonical SMILES for 3-[acetyl(propyl)amino]-N-(2,4-dichlorophenyl)propanamide is CCCN(CCC(=O)Nc1ccc(Cl)cc1Cl)C(C)=O.
What is the InChIKey of 3-[acetyl(propyl)amino]-N-(2,4-dichlorophenyl)propanamide?
The InChIKey is RSSPVLPDLUNGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-3-7-18(10(2)19)8-6-14(20)17-13-5-4-11(15)9-12(13)16/h4-5,9H,3,6-8H2,1-2H3,(H,17,20).
What are the key properties of 3-[acetyl(propyl)amino]-N-(2,4-dichlorophenyl)propanamide?
3-[acetyl(propyl)amino]-N-(2,4-dichlorophenyl)propanamide has a molecular weight of 317.22 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(propyl)amino]-N-(2,4-dichlorophenyl)propanamide is sourced from PubChem (CID 113115094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).