2-chloro-N-[(3-hydroxyphenyl)methyl]-N-pyridin-2-ylacetamide

C14H13ClN2O2 — CID 82110912

IUPAC2-chloro-N-[(3-hydroxyphenyl)methyl]-N-pyridin-2-ylacetamide
SMILESO=C(CCl)N(Cc1cccc(O)c1)c1ccccn1
InChIInChI=1S/C14H13ClN2O2/c15-9-14(19)17(13-6-1-2-7-16-13)10-11-4-3-5-12(18)8-11/h1-8,18H,9-10H2
InChIKeyCJSRFUNEZMJAAL-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.56
Rot. Bonds4

About 2-chloro-N-[(3-hydroxyphenyl)methyl]-N-pyridin-2-ylacetamide

2-chloro-N-[(3-hydroxyphenyl)methyl]-N-pyridin-2-ylacetamide (PubChem CID 82110912) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-chloro-N-[(3-hydroxyphenyl)methyl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-chloro-N-[(3-hydroxyphenyl)methyl]-N-pyridin-2-ylacetamide
PubChem CID82110912
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name2-chloro-N-[(3-hydroxyphenyl)methyl]-N-pyridin-2-ylacetamide
SMILESO=C(CCl)N(Cc1cccc(O)c1)c1ccccn1
InChIInChI=1S/C14H13ClN2O2/c15-9-14(19)17(13-6-1-2-7-16-13)10-11-4-3-5-12(18)8-11/h1-8,18H,9-10H2
InChIKeyCJSRFUNEZMJAAL-UHFFFAOYSA-N
XLogP2.56
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-hydroxyphenyl)methyl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-chloro-N-[(3-hydroxyphenyl)methyl]-N-pyridin-2-ylacetamide (CID 82110912) is 2-chloro-N-[(3-hydroxyphenyl)methyl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-chloro-N-[(3-hydroxyphenyl)methyl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-chloro-N-[(3-hydroxyphenyl)methyl]-N-pyridin-2-ylacetamide is O=C(CCl)N(Cc1cccc(O)c1)c1ccccn1.
What is the InChIKey of 2-chloro-N-[(3-hydroxyphenyl)methyl]-N-pyridin-2-ylacetamide?
The InChIKey is CJSRFUNEZMJAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-9-14(19)17(13-6-1-2-7-16-13)10-11-4-3-5-12(18)8-11/h1-8,18H,9-10H2.
What are the key properties of 2-chloro-N-[(3-hydroxyphenyl)methyl]-N-pyridin-2-ylacetamide?
2-chloro-N-[(3-hydroxyphenyl)methyl]-N-pyridin-2-ylacetamide has a molecular weight of 276.72 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-hydroxyphenyl)methyl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 82110912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).