2-chloro-4-fluoro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide

C16H16ClFN2O3 — CID 91817021

IUPAC2-chloro-4-fluoro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide
SMILESCOc1cc(C)n(CCNC(=O)c2ccc(F)cc2Cl)c(=O)c1
InChIInChI=1S/C16H16ClFN2O3/c1-10-7-12(23-2)9-15(21)20(10)6-5-19-16(22)13-4-3-11(18)8-14(13)17/h3-4,7-9H,5-6H2,1-2H3,(H,19,22)
InChIKeyOFQCXDBKEDPCER-UHFFFAOYSA-N
MW338.77 g/mol
LogP2.39
Rot. Bonds5

About 2-chloro-4-fluoro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide

2-chloro-4-fluoro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide (PubChem CID 91817021) has the molecular formula C16H16ClFN2O3 and a molecular weight of 338.77 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide
PubChem CID91817021
Molecular FormulaC16H16ClFN2O3
Molecular Weight338.77 g/mol
Exact Mass338.08
IUPAC Name2-chloro-4-fluoro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide
SMILESCOc1cc(C)n(CCNC(=O)c2ccc(F)cc2Cl)c(=O)c1
InChIInChI=1S/C16H16ClFN2O3/c1-10-7-12(23-2)9-15(21)20(10)6-5-19-16(22)13-4-3-11(18)8-14(13)17/h3-4,7-9H,5-6H2,1-2H3,(H,19,22)
InChIKeyOFQCXDBKEDPCER-UHFFFAOYSA-N
XLogP2.39
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-chloro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide
CID 91817050
5-chloro-2-methoxy-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide
CID 91817029
2-chloro-4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 33430634
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
CID 6469574
2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide
CID 17144545
2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide
CID 6465941
N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 91817058
N-[2-[4-amino-3-(3-fluoro-5-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-chloro-4-fluorobenzamide
CID 118063545
2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 43600269
2-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-4-fluorobenzamide
CID 119105390
2-chloro-N-[3-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]-4-fluorobenzamide
CID 51955720
N-(3-aminobutyl)-2-chloro-4-fluorobenzamide
CID 63254096

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide (CID 91817021) is 2-chloro-4-fluoro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide is COc1cc(C)n(CCNC(=O)c2ccc(F)cc2Cl)c(=O)c1.
What is the InChIKey of 2-chloro-4-fluoro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide?
The InChIKey is OFQCXDBKEDPCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3/c1-10-7-12(23-2)9-15(21)20(10)6-5-19-16(22)13-4-3-11(18)8-14(13)17/h3-4,7-9H,5-6H2,1-2H3,(H,19,22).
What are the key properties of 2-chloro-4-fluoro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide?
2-chloro-4-fluoro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide has a molecular weight of 338.77 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide is sourced from PubChem (CID 91817021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).