4-(3,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)butanamide

C14H19Cl2NO2 — CID 78897631

IUPAC4-(3,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)butanamide
SMILESCCN(CCO)C(=O)CCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2NO2/c1-2-17(8-9-18)14(19)5-3-4-11-6-7-12(15)13(16)10-11/h6-7,10,18H,2-5,8-9H2,1H3
InChIKeyKMTTZKFYESLSDC-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.16
Rot. Bonds7

About 4-(3,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)butanamide

4-(3,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)butanamide (PubChem CID 78897631) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)butanamide.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)butanamide
PubChem CID78897631
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Name4-(3,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)butanamide
SMILESCCN(CCO)C(=O)CCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2NO2/c1-2-17(8-9-18)14(19)5-3-4-11-6-7-12(15)13(16)10-11/h6-7,10,18H,2-5,8-9H2,1H3
InChIKeyKMTTZKFYESLSDC-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

Analyze 4-(3,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3,4-dichlorophenyl)butanoyl-ethylamino]acetic acid
CID 119205864
4-(3,4-dichlorophenyl)butanamide
CID 47319689
N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide
CID 115772082
3-(2,4-dichlorophenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771344
4-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119824958
3-(3-chloro-4-methylphenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902357
2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide
CID 66568191
2-[4-(4-chlorophenyl)butanoyl-ethylamino]acetic acid
CID 119205856
6-(3,4-dichlorophenyl)hexanoic acid
CID 43446941
1,5-bis(3,4-dichlorophenyl)pentan-3-one
CID 70057291
2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 62505484
4-(1-benzothiophen-3-yl)-N-ethyl-N-(2-hydroxyethyl)butanamide
CID 109468303

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)butanamide?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)butanamide (CID 78897631) is 4-(3,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)butanamide.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)butanamide?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)butanamide is CCN(CCO)C(=O)CCCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)butanamide?
The InChIKey is KMTTZKFYESLSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c1-2-17(8-9-18)14(19)5-3-4-11-6-7-12(15)13(16)10-11/h6-7,10,18H,2-5,8-9H2,1H3.
What are the key properties of 4-(3,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)butanamide?
4-(3,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)butanamide 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 4-(3,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)butanamide is sourced from PubChem (CID 78897631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).