2-chloro-N-[(2-hydroxyphenyl)methyl]propanamide

C10H12ClNO2 — CID 82109945

IUPAC2-chloro-N-[(2-hydroxyphenyl)methyl]propanamide
SMILESCC(Cl)C(=O)NCc1ccccc1O
InChIInChI=1S/C10H12ClNO2/c1-7(11)10(14)12-6-8-4-2-3-5-9(8)13/h2-5,7,13H,6H2,1H3,(H,12,14)
InChIKeyJXOQELNYOKKODE-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.64
Rot. Bonds3

About 2-chloro-N-[(2-hydroxyphenyl)methyl]propanamide

2-chloro-N-[(2-hydroxyphenyl)methyl]propanamide (PubChem CID 82109945) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-chloro-N-[(2-hydroxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(2-hydroxyphenyl)methyl]propanamide
PubChem CID82109945
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-chloro-N-[(2-hydroxyphenyl)methyl]propanamide
SMILESCC(Cl)C(=O)NCc1ccccc1O
InChIInChI=1S/C10H12ClNO2/c1-7(11)10(14)12-6-8-4-2-3-5-9(8)13/h2-5,7,13H,6H2,1H3,(H,12,14)
InChIKeyJXOQELNYOKKODE-UHFFFAOYSA-N
XLogP1.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
CID 9291152
2-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
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3-amino-N-[(2-hydroxyphenyl)methyl]-2-methylbutanamide
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2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 43346970
N-[(2-hydroxyphenyl)methyl]-2-phenoxypropanamide
CID 60607631
2-chloro-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 82110635
2-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide
CID 90538425
(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide
CID 51921905
N-[(2-ethylphenyl)methyl]-2-methylpropanamide
CID 64694185
2-(2-hydroxyphenyl)-N-(2-methylpropyl)acetamide
CID 22947307
2-(2-hydroxyphenyl)-N-propan-2-ylacetamide
CID 78990911
N-[(2-bromo-5-fluorophenyl)methyl]-2-chloropropanamide
CID 61017025

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-hydroxyphenyl)methyl]propanamide?
The IUPAC name of 2-chloro-N-[(2-hydroxyphenyl)methyl]propanamide (CID 82109945) is 2-chloro-N-[(2-hydroxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(2-hydroxyphenyl)methyl]propanamide?
The canonical SMILES for 2-chloro-N-[(2-hydroxyphenyl)methyl]propanamide is CC(Cl)C(=O)NCc1ccccc1O.
What is the InChIKey of 2-chloro-N-[(2-hydroxyphenyl)methyl]propanamide?
The InChIKey is JXOQELNYOKKODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-7(11)10(14)12-6-8-4-2-3-5-9(8)13/h2-5,7,13H,6H2,1H3,(H,12,14).
What are the key properties of 2-chloro-N-[(2-hydroxyphenyl)methyl]propanamide?
2-chloro-N-[(2-hydroxyphenyl)methyl]propanamide has a molecular weight of 213.66 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-hydroxyphenyl)methyl]propanamide is sourced from PubChem (CID 82109945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).