N-(4-cyclopropyl-2-hydroxybutyl)-3-(2,4-dichlorophenyl)propanamide

C16H21Cl2NO2 — CID 166331353

IUPACN-(4-cyclopropyl-2-hydroxybutyl)-3-(2,4-dichlorophenyl)propanamide
SMILESO=C(CCc1ccc(Cl)cc1Cl)NCC(O)CCC1CC1
InChIInChI=1S/C16H21Cl2NO2/c17-13-6-4-12(15(18)9-13)5-8-16(21)19-10-14(20)7-3-11-1-2-11/h4,6,9,11,14,20H,1-3,5,7-8,10H2,(H,19,21)
InChIKeyIEBRANLCZNMPSU-UHFFFAOYSA-N
MW330.25 g/mol
LogP3.59
Rot. Bonds8

About N-(4-cyclopropyl-2-hydroxybutyl)-3-(2,4-dichlorophenyl)propanamide

N-(4-cyclopropyl-2-hydroxybutyl)-3-(2,4-dichlorophenyl)propanamide (PubChem CID 166331353) has the molecular formula C16H21Cl2NO2 and a molecular weight of 330.25 g/mol. Its IUPAC name is N-(4-cyclopropyl-2-hydroxybutyl)-3-(2,4-dichlorophenyl)propanamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-2-hydroxybutyl)-3-(2,4-dichlorophenyl)propanamide
PubChem CID166331353
Molecular FormulaC16H21Cl2NO2
Molecular Weight330.25 g/mol
Exact Mass329.09
IUPAC NameN-(4-cyclopropyl-2-hydroxybutyl)-3-(2,4-dichlorophenyl)propanamide
SMILESO=C(CCc1ccc(Cl)cc1Cl)NCC(O)CCC1CC1
InChIInChI=1S/C16H21Cl2NO2/c17-13-6-4-12(15(18)9-13)5-8-16(21)19-10-14(20)7-3-11-1-2-11/h4,6,9,11,14,20H,1-3,5,7-8,10H2,(H,19,21)
InChIKeyIEBRANLCZNMPSU-UHFFFAOYSA-N
XLogP3.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide
CID 111447770
3-(2,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120830392
N-[2-(2,4-dichlorophenyl)ethyl]-3-piperidin-4-ylpropanamide
CID 62211031
3-(2,4-dichlorophenyl)-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]propanamide
CID 71910674
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride
CID 119408221
5-[3-(2,4-dichlorophenyl)propanoylamino]-2-methylpentanoic acid
CID 104681872
N-(3-cyclohexyloxypropyl)-3-(2,4-dichlorophenyl)propanamide
CID 100608367
N-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide
CID 100608161
N-(2-bicyclo[2.2.1]heptanyl)-3-(2,4-dichlorophenyl)propanamide
CID 133225055
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(2,4-dichlorophenyl)propanamide
CID 100605785
(2S)-3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid
CID 114006523

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-2-hydroxybutyl)-3-(2,4-dichlorophenyl)propanamide?
The IUPAC name of N-(4-cyclopropyl-2-hydroxybutyl)-3-(2,4-dichlorophenyl)propanamide (CID 166331353) is N-(4-cyclopropyl-2-hydroxybutyl)-3-(2,4-dichlorophenyl)propanamide.
What is the SMILES notation for N-(4-cyclopropyl-2-hydroxybutyl)-3-(2,4-dichlorophenyl)propanamide?
The canonical SMILES for N-(4-cyclopropyl-2-hydroxybutyl)-3-(2,4-dichlorophenyl)propanamide is O=C(CCc1ccc(Cl)cc1Cl)NCC(O)CCC1CC1.
What is the InChIKey of N-(4-cyclopropyl-2-hydroxybutyl)-3-(2,4-dichlorophenyl)propanamide?
The InChIKey is IEBRANLCZNMPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO2/c17-13-6-4-12(15(18)9-13)5-8-16(21)19-10-14(20)7-3-11-1-2-11/h4,6,9,11,14,20H,1-3,5,7-8,10H2,(H,19,21).
What are the key properties of N-(4-cyclopropyl-2-hydroxybutyl)-3-(2,4-dichlorophenyl)propanamide?
N-(4-cyclopropyl-2-hydroxybutyl)-3-(2,4-dichlorophenyl)propanamide has a molecular weight of 330.25 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-2-hydroxybutyl)-3-(2,4-dichlorophenyl)propanamide is sourced from PubChem (CID 166331353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).