N-[(2-chloro-4-ethylphenyl)methyl]-3-hydroxypropanamide

C12H16ClNO2 — CID 142183582

IUPACN-[(2-chloro-4-ethylphenyl)methyl]-3-hydroxypropanamide
SMILESCCc1ccc(CNC(=O)CCO)c(Cl)c1
InChIInChI=1S/C12H16ClNO2/c1-2-9-3-4-10(11(13)7-9)8-14-12(16)5-6-15/h3-4,7,15H,2,5-6,8H2,1H3,(H,14,16)
InChIKeyHJSFGVOSPRZHLM-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.90
Rot. Bonds5

About N-[(2-chloro-4-ethylphenyl)methyl]-3-hydroxypropanamide

N-[(2-chloro-4-ethylphenyl)methyl]-3-hydroxypropanamide (PubChem CID 142183582) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-[(2-chloro-4-ethylphenyl)methyl]-3-hydroxypropanamide.

Molecular Properties

Compound NameN-[(2-chloro-4-ethylphenyl)methyl]-3-hydroxypropanamide
PubChem CID142183582
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-[(2-chloro-4-ethylphenyl)methyl]-3-hydroxypropanamide
SMILESCCc1ccc(CNC(=O)CCO)c(Cl)c1
InChIInChI=1S/C12H16ClNO2/c1-2-9-3-4-10(11(13)7-9)8-14-12(16)5-6-15/h3-4,7,15H,2,5-6,8H2,1H3,(H,14,16)
InChIKeyHJSFGVOSPRZHLM-UHFFFAOYSA-N
XLogP1.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2-chloro-4-ethylphenyl)methyl]-3-hydroxypropanamide 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

N-[(4-bromo-2-chlorophenyl)methyl]propanamide
CID 67191892
N-[(3,4-dichlorophenyl)methyl]pentanamide
CID 3343442
N-[(4-ethylphenyl)methyl]butanamide
CID 110779517
N-[(2-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide
CID 18872463
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-hydroxypropanamide
CID 115139022
N-[(2,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 9082319
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(2,5-diethylphenyl)methyl]acetamide
CID 100721116
N-[(5-ethyl-2-methoxyphenyl)methyl]pentanamide
CID 110781781
N-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide
CID 108998040
N-[(4-bromo-2-chlorophenyl)methyl]-3-phenylpropanamide
CID 47444968
N-[(3,4-dichlorophenyl)methyl]nonanamide
CID 4058649

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-ethylphenyl)methyl]-3-hydroxypropanamide?
The IUPAC name of N-[(2-chloro-4-ethylphenyl)methyl]-3-hydroxypropanamide (CID 142183582) is N-[(2-chloro-4-ethylphenyl)methyl]-3-hydroxypropanamide.
What is the SMILES notation for N-[(2-chloro-4-ethylphenyl)methyl]-3-hydroxypropanamide?
The canonical SMILES for N-[(2-chloro-4-ethylphenyl)methyl]-3-hydroxypropanamide is CCc1ccc(CNC(=O)CCO)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-ethylphenyl)methyl]-3-hydroxypropanamide?
The InChIKey is HJSFGVOSPRZHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-2-9-3-4-10(11(13)7-9)8-14-12(16)5-6-15/h3-4,7,15H,2,5-6,8H2,1H3,(H,14,16).
What are the key properties of N-[(2-chloro-4-ethylphenyl)methyl]-3-hydroxypropanamide?
N-[(2-chloro-4-ethylphenyl)methyl]-3-hydroxypropanamide has a molecular weight of 241.72 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-ethylphenyl)methyl]-3-hydroxypropanamide is sourced from PubChem (CID 142183582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).