3-chloro-N-[(4-hydroxyphenyl)methyl]-2-methylpropanamide

C11H14ClNO2 — CID 114331641

IUPAC3-chloro-N-[(4-hydroxyphenyl)methyl]-2-methylpropanamide
SMILESCC(CCl)C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C11H14ClNO2/c1-8(6-12)11(15)13-7-9-2-4-10(14)5-3-9/h2-5,8,14H,6-7H2,1H3,(H,13,15)
InChIKeyBYGONLFCZIYXFI-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.88
Rot. Bonds4

About 3-chloro-N-[(4-hydroxyphenyl)methyl]-2-methylpropanamide

3-chloro-N-[(4-hydroxyphenyl)methyl]-2-methylpropanamide (PubChem CID 114331641) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-chloro-N-[(4-hydroxyphenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[(4-hydroxyphenyl)methyl]-2-methylpropanamide
PubChem CID114331641
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name3-chloro-N-[(4-hydroxyphenyl)methyl]-2-methylpropanamide
SMILESCC(CCl)C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C11H14ClNO2/c1-8(6-12)11(15)13-7-9-2-4-10(14)5-3-9/h2-5,8,14H,6-7H2,1H3,(H,13,15)
InChIKeyBYGONLFCZIYXFI-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.88
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-[(4-hydroxyphenyl)methyl]-2-methoxypropanamide
CID 115588691
(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
CID 94606450
3-chloro-2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]propanamide
CID 62728650
2-methyl-N-[(4-methylsulfonylphenyl)methyl]butanamide
CID 47191115
N-[(4-aminophenyl)methyl]-2-methylpentanamide
CID 60891259
3-chloro-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62726867
3-chloro-2-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 62726682
3-amino-N-[(4-hydroxyphenyl)methyl]butanamide
CID 114332164
4-hydroxy-N-[(4-hydroxyphenyl)methyl]pentanamide
CID 114332833
2-amino-3-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 76892661
(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide
CID 67015275
3-chloro-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 62728534

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-hydroxyphenyl)methyl]-2-methylpropanamide?
The IUPAC name of 3-chloro-N-[(4-hydroxyphenyl)methyl]-2-methylpropanamide (CID 114331641) is 3-chloro-N-[(4-hydroxyphenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for 3-chloro-N-[(4-hydroxyphenyl)methyl]-2-methylpropanamide?
The canonical SMILES for 3-chloro-N-[(4-hydroxyphenyl)methyl]-2-methylpropanamide is CC(CCl)C(=O)NCc1ccc(O)cc1.
What is the InChIKey of 3-chloro-N-[(4-hydroxyphenyl)methyl]-2-methylpropanamide?
The InChIKey is BYGONLFCZIYXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-8(6-12)11(15)13-7-9-2-4-10(14)5-3-9/h2-5,8,14H,6-7H2,1H3,(H,13,15).
What are the key properties of 3-chloro-N-[(4-hydroxyphenyl)methyl]-2-methylpropanamide?
3-chloro-N-[(4-hydroxyphenyl)methyl]-2-methylpropanamide has a molecular weight of 227.69 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-hydroxyphenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 114331641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).