2-anilino-N-(6-chloro-3-pyridinyl)acetamide

C13H12ClN3O — CID 81489216

IUPAC2-anilino-N-(6-chloro-3-pyridinyl)acetamide
SMILESO=C(CNc1ccccc1)Nc1ccc(Cl)nc1
InChIInChI=1S/C13H12ClN3O/c14-12-7-6-11(8-16-12)17-13(18)9-15-10-4-2-1-3-5-10/h1-8,15H,9H2,(H,17,18)
InChIKeyDRFOKZZCYNORLQ-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.79
Rot. Bonds4

About 2-anilino-N-(6-chloro-3-pyridinyl)acetamide

2-anilino-N-(6-chloro-3-pyridinyl)acetamide (PubChem CID 81489216) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-anilino-N-(6-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-anilino-N-(6-chloro-3-pyridinyl)acetamide
PubChem CID81489216
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name2-anilino-N-(6-chloro-3-pyridinyl)acetamide
SMILESO=C(CNc1ccccc1)Nc1ccc(Cl)nc1
InChIInChI=1S/C13H12ClN3O/c14-12-7-6-11(8-16-12)17-13(18)9-15-10-4-2-1-3-5-10/h1-8,15H,9H2,(H,17,18)
InChIKeyDRFOKZZCYNORLQ-UHFFFAOYSA-N
XLogP2.79
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenoxy)-N-(6-chloro-3-pyridinyl)acetamide
CID 54787980
5-[(2-anilinoacetyl)amino]-2-chlorobenzoic acid
CID 60861944
2-anilino-N-(2-chloro-3-pyridinyl)acetamide
CID 60661396
2-(2-tert-butylphenoxy)-N-(6-chloro-3-pyridinyl)acetamide
CID 54787974
2-anilino-N-(4-pyridin-4-ylphenyl)acetamide
CID 15981382
2-(3,4-dichloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54811847
2-anilino-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 60927630
6-chloro-N-phenylpyridin-3-amine
CID 175055218
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54823077
2-anilino-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 61237525
N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide
CID 54810342

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(6-chloro-3-pyridinyl)acetamide?
The IUPAC name of 2-anilino-N-(6-chloro-3-pyridinyl)acetamide (CID 81489216) is 2-anilino-N-(6-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-anilino-N-(6-chloro-3-pyridinyl)acetamide?
The canonical SMILES for 2-anilino-N-(6-chloro-3-pyridinyl)acetamide is O=C(CNc1ccccc1)Nc1ccc(Cl)nc1.
What is the InChIKey of 2-anilino-N-(6-chloro-3-pyridinyl)acetamide?
The InChIKey is DRFOKZZCYNORLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-12-7-6-11(8-16-12)17-13(18)9-15-10-4-2-1-3-5-10/h1-8,15H,9H2,(H,17,18).
What are the key properties of 2-anilino-N-(6-chloro-3-pyridinyl)acetamide?
2-anilino-N-(6-chloro-3-pyridinyl)acetamide has a molecular weight of 261.71 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(6-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 81489216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).