2-chloro-4-fluoro-5-methyl-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide

C17H17ClFN3O2 — CID 75380208

IUPAC2-chloro-4-fluoro-5-methyl-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide
SMILESCc1cc(C(=O)NCC(=O)N(C)Cc2cccnc2)c(Cl)cc1F
InChIInChI=1S/C17H17ClFN3O2/c1-11-6-13(14(18)7-15(11)19)17(24)21-9-16(23)22(2)10-12-4-3-5-20-8-12/h3-8H,9-10H2,1-2H3,(H,21,24)
InChIKeyCNJOIOGUFPLOTB-UHFFFAOYSA-N
MW349.79 g/mol
LogP2.57
Rot. Bonds5

About 2-chloro-4-fluoro-5-methyl-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide

2-chloro-4-fluoro-5-methyl-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide (PubChem CID 75380208) has the molecular formula C17H17ClFN3O2 and a molecular weight of 349.79 g/mol. Its IUPAC name is 2-chloro-4-fluoro-5-methyl-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-5-methyl-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide
PubChem CID75380208
Molecular FormulaC17H17ClFN3O2
Molecular Weight349.79 g/mol
Exact Mass349.10
IUPAC Name2-chloro-4-fluoro-5-methyl-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide
SMILESCc1cc(C(=O)NCC(=O)N(C)Cc2cccnc2)c(Cl)cc1F
InChIInChI=1S/C17H17ClFN3O2/c1-11-6-13(14(18)7-15(11)19)17(24)21-9-16(23)22(2)10-12-4-3-5-20-8-12/h3-8H,9-10H2,1-2H3,(H,21,24)
InChIKeyCNJOIOGUFPLOTB-UHFFFAOYSA-N
XLogP2.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide
CID 110743929
6-chloro-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-2H-chromene-3-carboxamide
CID 51132475
N-methyl-2-(methylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 43563676
3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 113240917
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51160864
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78986887
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 27666006
3-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-4-carboxamide
CID 104920297
3,4-dichloro-N-[2-oxo-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]benzamide
CID 78813743
2-(3-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724716
4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43401146

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-5-methyl-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-5-methyl-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide (CID 75380208) is 2-chloro-4-fluoro-5-methyl-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-5-methyl-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-5-methyl-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide is Cc1cc(C(=O)NCC(=O)N(C)Cc2cccnc2)c(Cl)cc1F.
What is the InChIKey of 2-chloro-4-fluoro-5-methyl-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide?
The InChIKey is CNJOIOGUFPLOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O2/c1-11-6-13(14(18)7-15(11)19)17(24)21-9-16(23)22(2)10-12-4-3-5-20-8-12/h3-8H,9-10H2,1-2H3,(H,21,24).
What are the key properties of 2-chloro-4-fluoro-5-methyl-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide?
2-chloro-4-fluoro-5-methyl-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 349.79 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-5-methyl-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 75380208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).