3-amino-2-chloro-N-(6-ethoxy-3-pyridinyl)benzamide

C14H14ClN3O2 — CID 115930617

IUPAC3-amino-2-chloro-N-(6-ethoxy-3-pyridinyl)benzamide
SMILESCCOc1ccc(NC(=O)c2cccc(N)c2Cl)cn1
InChIInChI=1S/C14H14ClN3O2/c1-2-20-12-7-6-9(8-17-12)18-14(19)10-4-3-5-11(16)13(10)15/h3-8H,2,16H2,1H3,(H,18,19)
InChIKeyAAFBHWLCGQOJSH-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.97
Rot. Bonds4

About 3-amino-2-chloro-N-(6-ethoxy-3-pyridinyl)benzamide

3-amino-2-chloro-N-(6-ethoxy-3-pyridinyl)benzamide (PubChem CID 115930617) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 3-amino-2-chloro-N-(6-ethoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-(6-ethoxy-3-pyridinyl)benzamide
PubChem CID115930617
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name3-amino-2-chloro-N-(6-ethoxy-3-pyridinyl)benzamide
SMILESCCOc1ccc(NC(=O)c2cccc(N)c2Cl)cn1
InChIInChI=1S/C14H14ClN3O2/c1-2-20-12-7-6-9(8-17-12)18-14(19)10-4-3-5-11(16)13(10)15/h3-8H,2,16H2,1H3,(H,18,19)
InChIKeyAAFBHWLCGQOJSH-UHFFFAOYSA-N
XLogP2.97
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(6-ethoxy-3-pyridinyl)pyridine-3-carboxamide
CID 81233280
3-amino-2-chloro-N-(4-methylphenyl)benzamide
CID 112574116
N-(6-ethoxy-3-pyridinyl)-6-fluoropyridine-2-carboxamide
CID 115498032
3-amino-2-chloro-N-(4-propan-2-ylphenyl)benzamide
CID 115930102
4-amino-N-(6-ethoxy-3-pyridinyl)-3-methoxybenzamide
CID 104783111
3-amino-2-chloro-N-(5-fluoro-2-pyridinyl)benzamide
CID 112576003
3-bromo-4-chloro-N-(6-ethoxy-3-pyridinyl)benzamide
CID 107999600
N-(6-ethoxy-3-pyridinyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103747377
3-amino-N-(3-bromo-4-chlorophenyl)-2-chlorobenzamide
CID 112576057
4-amino-N-(6-ethoxy-3-pyridinyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116671420
3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 112574586
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-(6-ethoxy-3-pyridinyl)benzamide?
The IUPAC name of 3-amino-2-chloro-N-(6-ethoxy-3-pyridinyl)benzamide (CID 115930617) is 3-amino-2-chloro-N-(6-ethoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-(6-ethoxy-3-pyridinyl)benzamide?
The canonical SMILES for 3-amino-2-chloro-N-(6-ethoxy-3-pyridinyl)benzamide is CCOc1ccc(NC(=O)c2cccc(N)c2Cl)cn1.
What is the InChIKey of 3-amino-2-chloro-N-(6-ethoxy-3-pyridinyl)benzamide?
The InChIKey is AAFBHWLCGQOJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-2-20-12-7-6-9(8-17-12)18-14(19)10-4-3-5-11(16)13(10)15/h3-8H,2,16H2,1H3,(H,18,19).
What are the key properties of 3-amino-2-chloro-N-(6-ethoxy-3-pyridinyl)benzamide?
3-amino-2-chloro-N-(6-ethoxy-3-pyridinyl)benzamide has a molecular weight of 291.74 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-(6-ethoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 115930617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).