3-chloro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide

C12H16ClNO2 — CID 62727616

IUPAC3-chloro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide
SMILESCC(CCl)C(=O)Nc1ccccc1C(C)O
InChIInChI=1S/C12H16ClNO2/c1-8(7-13)12(16)14-11-6-4-3-5-10(11)9(2)15/h3-6,8-9,15H,7H2,1-2H3,(H,14,16)
InChIKeyKBKYCDSIKMRHRX-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.55
Rot. Bonds4

About 3-chloro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide

3-chloro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide (PubChem CID 62727616) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-chloro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide
PubChem CID62727616
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name3-chloro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide
SMILESCC(CCl)C(=O)Nc1ccccc1C(C)O
InChIInChI=1S/C12H16ClNO2/c1-8(7-13)12(16)14-11-6-4-3-5-10(11)9(2)15/h3-6,8-9,15H,7H2,1-2H3,(H,14,16)
InChIKeyKBKYCDSIKMRHRX-UHFFFAOYSA-N
XLogP2.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide
CID 55110758
3-(ethylamino)-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide
CID 62838572
N-[2-(1-chloroethyl)phenyl]-2-methylbutanamide
CID 114304941
2-methyl-N-[2-[1-(methylamino)ethyl]phenyl]butanamide
CID 43507938
2-acetamido-N-[2-(1-hydroxyethyl)phenyl]propanamide
CID 54963356
3-chloro-N-(5-hydroxynaphthalen-1-yl)-2-methylpropanamide
CID 62726815
N-[2-(1-hydroxyethyl)phenyl]-2,2-dimethylbutanamide
CID 55103349
N-[2-(1-hydroxyethyl)phenyl]butanamide
CID 43508507
2-acetamido-N-[2-(1-hydroxyethyl)phenyl]-3-methylbutanamide
CID 60728820
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-chloro-2-methylpropanamide
CID 62727753
2-(2-fluorophenyl)-N-[2-(1-hydroxyethyl)phenyl]acetamide
CID 43508486
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide?
The IUPAC name of 3-chloro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide (CID 62727616) is 3-chloro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide.
What is the SMILES notation for 3-chloro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide?
The canonical SMILES for 3-chloro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide is CC(CCl)C(=O)Nc1ccccc1C(C)O.
What is the InChIKey of 3-chloro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide?
The InChIKey is KBKYCDSIKMRHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-8(7-13)12(16)14-11-6-4-3-5-10(11)9(2)15/h3-6,8-9,15H,7H2,1-2H3,(H,14,16).
What are the key properties of 3-chloro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide?
3-chloro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide has a molecular weight of 241.72 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 62727616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).