5-chloro-2-methoxy-N-(5-methylpyridin-1-ium-2-yl)benzamide

C14H14ClN2O2+ — CID 4047876

IUPAC5-chloro-2-methoxy-N-(5-methylpyridin-1-ium-2-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(C)c[nH+]1
InChIInChI=1S/C14H13ClN2O2/c1-9-3-6-13(16-8-9)17-14(18)11-7-10(15)4-5-12(11)19-2/h3-8H,1-2H3,(H,16,17,18)/p+1
InChIKeyZLHYHCZUCMTDFU-UHFFFAOYSA-O
MW277.73 g/mol
LogP2.72
Rot. Bonds3

About 5-chloro-2-methoxy-N-(5-methylpyridin-1-ium-2-yl)benzamide

5-chloro-2-methoxy-N-(5-methylpyridin-1-ium-2-yl)benzamide (PubChem CID 4047876) has the molecular formula C14H14ClN2O2+ and a molecular weight of 277.73 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(5-methylpyridin-1-ium-2-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(5-methylpyridin-1-ium-2-yl)benzamide
PubChem CID4047876
Molecular FormulaC14H14ClN2O2+
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name5-chloro-2-methoxy-N-(5-methylpyridin-1-ium-2-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(C)c[nH+]1
InChIInChI=1S/C14H13ClN2O2/c1-9-3-6-13(16-8-9)17-14(18)11-7-10(15)4-5-12(11)19-2/h3-8H,1-2H3,(H,16,17,18)/p+1
InChIKeyZLHYHCZUCMTDFU-UHFFFAOYSA-O
XLogP2.72
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(4,6-dimethyl-2-pyridinyl)-2-methoxybenzamide
CID 868750
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
N-(2-bromo-5-methylphenyl)-5-chloro-2-methoxybenzamide
CID 82707312
2,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 965623
5-chloro-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 762528
5-chloro-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2679160
5-chloro-N'-(3,5-dimethylbenzoyl)-2-methoxybenzohydrazide
CID 2469214
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
N-(2-bromo-5-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 81272413
N-(5-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzamide
CID 79770618
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
N-(3-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 43599928

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(5-methylpyridin-1-ium-2-yl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-(5-methylpyridin-1-ium-2-yl)benzamide (CID 4047876) is 5-chloro-2-methoxy-N-(5-methylpyridin-1-ium-2-yl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(5-methylpyridin-1-ium-2-yl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(5-methylpyridin-1-ium-2-yl)benzamide is COc1ccc(Cl)cc1C(=O)Nc1ccc(C)c[nH+]1.
What is the InChIKey of 5-chloro-2-methoxy-N-(5-methylpyridin-1-ium-2-yl)benzamide?
The InChIKey is ZLHYHCZUCMTDFU-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H13ClN2O2/c1-9-3-6-13(16-8-9)17-14(18)11-7-10(15)4-5-12(11)19-2/h3-8H,1-2H3,(H,16,17,18)/p+1.
What are the key properties of 5-chloro-2-methoxy-N-(5-methylpyridin-1-ium-2-yl)benzamide?
5-chloro-2-methoxy-N-(5-methylpyridin-1-ium-2-yl)benzamide has a molecular weight of 277.73 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(5-methylpyridin-1-ium-2-yl)benzamide is sourced from PubChem (CID 4047876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).