3-chloro-N-(5-chloro-2-pyridinyl)-4-ethoxybenzamide

C14H12Cl2N2O2 — CID 3237354

IUPAC3-chloro-N-(5-chloro-2-pyridinyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1Cl
InChIInChI=1S/C14H12Cl2N2O2/c1-2-20-12-5-3-9(7-11(12)16)14(19)18-13-6-4-10(15)8-17-13/h3-8H,2H2,1H3,(H,17,18,19)
InChIKeyRBIAGCKCFJYTQH-UHFFFAOYSA-N
MW311.17 g/mol
LogP4.04
Rot. Bonds4

About 3-chloro-N-(5-chloro-2-pyridinyl)-4-ethoxybenzamide

3-chloro-N-(5-chloro-2-pyridinyl)-4-ethoxybenzamide (PubChem CID 3237354) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 3-chloro-N-(5-chloro-2-pyridinyl)-4-ethoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(5-chloro-2-pyridinyl)-4-ethoxybenzamide
PubChem CID3237354
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name3-chloro-N-(5-chloro-2-pyridinyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1Cl
InChIInChI=1S/C14H12Cl2N2O2/c1-2-20-12-5-3-9(7-11(12)16)14(19)18-13-6-4-10(15)8-17-13/h3-8H,2H2,1H3,(H,17,18,19)
InChIKeyRBIAGCKCFJYTQH-UHFFFAOYSA-N
XLogP4.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-Chloropyridin-2-yl)-3-[2-(3-acetyl-2-fluoro-6-methoxyphenyl)ethyl]urea
CID 475283
4-methoxy-N-pyridin-2-ylbenzamide
CID 821599
US9902722, Example 8
CID 118420290
4-ethoxy-N-(4-methylpyridin-2-yl)benzamide
CID 803159
3-chloro-4-methoxy-N-(pyridin-3-ylcarbamothioyl)benzamide
CID 802066
N-(5-chloropyridin-2-yl)-4-phenoxybenzamide
CID 830775
1-{3-[(2,4-Dichlorophenoxy)methyl]benzoyl}-4-(2-pyridinyl)piperazine
CID 1314815
3-chloro-N-(5-chloropyridin-2-yl)-4-methoxybenzamide
CID 3237952
Benzamide,n-(3-chloro-2-pyridinyl)-3-(cyclopentyloxy)-4-methoxy-
CID 10089015
3-chloro-N-(6-pyridin-3-yloxy-2-pyridinyl)benzamide
CID 58349181
2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxybenzamide
CID 59618008
2-(3-(2-chlorophenoxy)propoxy)pyrido[2,3-d]pyrimidin-4(3H)-one
CID 135899171

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-chloro-2-pyridinyl)-4-ethoxybenzamide?
The IUPAC name of 3-chloro-N-(5-chloro-2-pyridinyl)-4-ethoxybenzamide (CID 3237354) is 3-chloro-N-(5-chloro-2-pyridinyl)-4-ethoxybenzamide.
What is the SMILES notation for 3-chloro-N-(5-chloro-2-pyridinyl)-4-ethoxybenzamide?
The canonical SMILES for 3-chloro-N-(5-chloro-2-pyridinyl)-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1Cl.
What is the InChIKey of 3-chloro-N-(5-chloro-2-pyridinyl)-4-ethoxybenzamide?
The InChIKey is RBIAGCKCFJYTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-2-20-12-5-3-9(7-11(12)16)14(19)18-13-6-4-10(15)8-17-13/h3-8H,2H2,1H3,(H,17,18,19).
What are the key properties of 3-chloro-N-(5-chloro-2-pyridinyl)-4-ethoxybenzamide?
3-chloro-N-(5-chloro-2-pyridinyl)-4-ethoxybenzamide has a molecular weight of 311.17 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-chloro-2-pyridinyl)-4-ethoxybenzamide is sourced from PubChem (CID 3237354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).