3-(2,4-dichlorophenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide

C14H19Cl2NO2 — CID 115771344

IUPAC3-(2,4-dichlorophenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide
SMILESCCN(CCCO)C(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO2/c1-2-17(8-3-9-18)14(19)7-5-11-4-6-12(15)10-13(11)16/h4,6,10,18H,2-3,5,7-9H2,1H3
InChIKeyDYDGVSRPJXWLMI-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.16
Rot. Bonds7

About 3-(2,4-dichlorophenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide

3-(2,4-dichlorophenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide (PubChem CID 115771344) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide
PubChem CID115771344
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Name3-(2,4-dichlorophenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide
SMILESCCN(CCCO)C(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO2/c1-2-17(8-3-9-18)14(19)7-5-11-4-6-12(15)10-13(11)16/h4,6,10,18H,2-3,5,7-9H2,1H3
InChIKeyDYDGVSRPJXWLMI-UHFFFAOYSA-N
XLogP3.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771889
N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide
CID 115772082
3-(2-ethoxyphenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771921
3-(4-chloro-2-nitrophenyl)-N,N-diethylpropanamide
CID 165349117
4-(3,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)butanamide
CID 78897631
3-[3-(2-bromo-5-chlorophenyl)propanoyl-ethylamino]propanoic acid
CID 120685970
2-(2,4-dichlorophenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771866
4-(2,4-dichlorophenoxy)-N-ethyl-N-propylbutanamide
CID 162432622
1-chloro-4-(2,4-dichlorophenyl)butan-2-one
CID 20507775
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]hexanamide
CID 42709412
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]pentanamide
CID 42709118

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide (CID 115771344) is 3-(2,4-dichlorophenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide is CCN(CCCO)C(=O)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide?
The InChIKey is DYDGVSRPJXWLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c1-2-17(8-3-9-18)14(19)7-5-11-4-6-12(15)10-13(11)16/h4,6,10,18H,2-3,5,7-9H2,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide?
3-(2,4-dichlorophenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide has a molecular weight of 304.22 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide is sourced from PubChem (CID 115771344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).