2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide

C12H16ClNO2 — CID 62505484

IUPAC2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide
SMILESCCN(CCO)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO2/c1-2-14(6-7-15)12(16)9-10-4-3-5-11(13)8-10/h3-5,8,15H,2,6-7,9H2,1H3
InChIKeyNUHCRDUOGZJWQJ-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.72
Rot. Bonds5

About 2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide

2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide (PubChem CID 62505484) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide
PubChem CID62505484
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide
SMILESCCN(CCO)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO2/c1-2-14(6-7-15)12(16)9-10-4-3-5-11(13)8-10/h3-5,8,15H,2,6-7,9H2,1H3
InChIKeyNUHCRDUOGZJWQJ-UHFFFAOYSA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107483052
2-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide
CID 60940145
2-(3-bromophenyl)-N-ethyl-N-(3-hydroxypropyl)acetamide
CID 115771726
2-[(3-chlorophenyl)methyl-ethylamino]ethanol
CID 60685456
3-[(3-chlorophenyl)methyl]-1,1-bis(2-hydroxyethyl)urea
CID 108898653
N-ethyl-N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 60701961
N-benzyl-N-(2-bromoethyl)-2-(3-chlorophenyl)acetamide
CID 80656058
N-butyl-N-ethyl-2-(3-hydroxyphenyl)acetamide
CID 61399892
N-(2-chloroethyl)-2-(3-chlorophenyl)-N-(2,2-difluoroethyl)acetamide
CID 107491039
N-(2-chloroethyl)-N-ethyl-2-(3-methoxyphenyl)acetamide
CID 63395047
N-(2-chloroethyl)-2-(3-chlorophenyl)-N-pentan-3-ylacetamide
CID 63398181
1-butyl-3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)urea
CID 110894614

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide (CID 62505484) is 2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide is CCN(CCO)C(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide?
The InChIKey is NUHCRDUOGZJWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-2-14(6-7-15)12(16)9-10-4-3-5-11(13)8-10/h3-5,8,15H,2,6-7,9H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide?
2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide has a molecular weight of 241.72 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 62505484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).