5-chloro-2-methoxy-N,3-dimethyl-N-(2-pyridin-4-ylethyl)benzamide

C17H19ClN2O2 — CID 110762978

IUPAC5-chloro-2-methoxy-N,3-dimethyl-N-(2-pyridin-4-ylethyl)benzamide
SMILESCOc1c(C)cc(Cl)cc1C(=O)N(C)CCc1ccncc1
InChIInChI=1S/C17H19ClN2O2/c1-12-10-14(18)11-15(16(12)22-3)17(21)20(2)9-6-13-4-7-19-8-5-13/h4-5,7-8,10-11H,6,9H2,1-3H3
InChIKeyBGZCLGOYXVFFQZ-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.37
Rot. Bonds5

About 5-chloro-2-methoxy-N,3-dimethyl-N-(2-pyridin-4-ylethyl)benzamide

5-chloro-2-methoxy-N,3-dimethyl-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 110762978) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N,3-dimethyl-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N,3-dimethyl-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID110762978
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name5-chloro-2-methoxy-N,3-dimethyl-N-(2-pyridin-4-ylethyl)benzamide
SMILESCOc1c(C)cc(Cl)cc1C(=O)N(C)CCc1ccncc1
InChIInChI=1S/C17H19ClN2O2/c1-12-10-14(18)11-15(16(12)22-3)17(21)20(2)9-6-13-4-7-19-8-5-13/h4-5,7-8,10-11H,6,9H2,1-3H3
InChIKeyBGZCLGOYXVFFQZ-UHFFFAOYSA-N
XLogP3.37
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110761596
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81226415
4,5,6-trimethoxy-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-3-carboxamide
CID 113206750
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 61051888
6-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-3-carboxamide
CID 113206552
2-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110768677
N-methyl-N-(2-pyridin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60602562
5-amino-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 60913362
N,1,3-trimethyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 110852590
3-fluoro-4-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110761103
4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 77093047
N,3-dimethyl-N-(2-pyridin-4-ylethyl)furan-2-carboxamide
CID 110695643

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N,3-dimethyl-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N,3-dimethyl-N-(2-pyridin-4-ylethyl)benzamide (CID 110762978) is 5-chloro-2-methoxy-N,3-dimethyl-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N,3-dimethyl-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N,3-dimethyl-N-(2-pyridin-4-ylethyl)benzamide is COc1c(C)cc(Cl)cc1C(=O)N(C)CCc1ccncc1.
What is the InChIKey of 5-chloro-2-methoxy-N,3-dimethyl-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is BGZCLGOYXVFFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-12-10-14(18)11-15(16(12)22-3)17(21)20(2)9-6-13-4-7-19-8-5-13/h4-5,7-8,10-11H,6,9H2,1-3H3.
What are the key properties of 5-chloro-2-methoxy-N,3-dimethyl-N-(2-pyridin-4-ylethyl)benzamide?
5-chloro-2-methoxy-N,3-dimethyl-N-(2-pyridin-4-ylethyl)benzamide has a molecular weight of 318.80 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N,3-dimethyl-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 110762978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).