3-chloro-4-ethoxy-N-(6-methylpyridin-1-ium-2-yl)benzamide

C15H16ClN2O2+ — CID 4694654

IUPAC3-chloro-4-ethoxy-N-(6-methylpyridin-1-ium-2-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(C)[nH+]2)cc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-3-20-13-8-7-11(9-12(13)16)15(19)18-14-6-4-5-10(2)17-14/h4-9H,3H2,1-2H3,(H,17,18,19)/p+1
InChIKeySZLBVWBNIWCSBK-UHFFFAOYSA-O
MW291.76 g/mol
LogP3.11
Rot. Bonds4

About 3-chloro-4-ethoxy-N-(6-methylpyridin-1-ium-2-yl)benzamide

3-chloro-4-ethoxy-N-(6-methylpyridin-1-ium-2-yl)benzamide (PubChem CID 4694654) has the molecular formula C15H16ClN2O2+ and a molecular weight of 291.76 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-(6-methylpyridin-1-ium-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-(6-methylpyridin-1-ium-2-yl)benzamide
PubChem CID4694654
Molecular FormulaC15H16ClN2O2+
Molecular Weight291.76 g/mol
Exact Mass291.09
IUPAC Name3-chloro-4-ethoxy-N-(6-methylpyridin-1-ium-2-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(C)[nH+]2)cc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-3-20-13-8-7-11(9-12(13)16)15(19)18-14-6-4-5-10(2)17-14/h4-9H,3H2,1-2H3,(H,17,18,19)/p+1
InChIKeySZLBVWBNIWCSBK-UHFFFAOYSA-O
XLogP3.11
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-N-(6-methylpyridin-1-ium-2-yl)-3-nitrobenzamide
CID 5171483
3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide
CID 886779
3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide
CID 806791
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518
N-(2,6-dichlorophenyl)-4-ethoxy-3-methylbenzamide
CID 30147579
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide
CID 15991907
3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide
CID 103221287
N-[3-[(3-chloro-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 1164621
3-chloro-N-[2-(difluoromethoxy)phenyl]-4-ethoxybenzamide
CID 1256588
3-chloro-4-ethoxy-N-(2-methylpropyl)benzamide
CID 1250371
N-(5-bromo-2-pyridinyl)-3-chloro-4-ethoxybenzamide
CID 5346053
3-chloro-4-ethoxybenzoate
CID 6927202

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-(6-methylpyridin-1-ium-2-yl)benzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-(6-methylpyridin-1-ium-2-yl)benzamide (CID 4694654) is 3-chloro-4-ethoxy-N-(6-methylpyridin-1-ium-2-yl)benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-(6-methylpyridin-1-ium-2-yl)benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-(6-methylpyridin-1-ium-2-yl)benzamide is CCOc1ccc(C(=O)Nc2cccc(C)[nH+]2)cc1Cl.
What is the InChIKey of 3-chloro-4-ethoxy-N-(6-methylpyridin-1-ium-2-yl)benzamide?
The InChIKey is SZLBVWBNIWCSBK-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15ClN2O2/c1-3-20-13-8-7-11(9-12(13)16)15(19)18-14-6-4-5-10(2)17-14/h4-9H,3H2,1-2H3,(H,17,18,19)/p+1.
What are the key properties of 3-chloro-4-ethoxy-N-(6-methylpyridin-1-ium-2-yl)benzamide?
3-chloro-4-ethoxy-N-(6-methylpyridin-1-ium-2-yl)benzamide has a molecular weight of 291.76 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-(6-methylpyridin-1-ium-2-yl)benzamide is sourced from PubChem (CID 4694654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).