2-chloro-6-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide

C17H16ClFN2O2 — CID 112992254

IUPAC2-chloro-6-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
SMILESCc1ccc(CNC(=O)CNC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H16ClFN2O2/c1-11-5-7-12(8-6-11)9-20-15(22)10-21-17(23)16-13(18)3-2-4-14(16)19/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeySLYHVAJDIMBTGT-UHFFFAOYSA-N
MW334.78 g/mol
LogP2.83
Rot. Bonds5

About 2-chloro-6-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide

2-chloro-6-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide (PubChem CID 112992254) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
PubChem CID112992254
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC Name2-chloro-6-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
SMILESCc1ccc(CNC(=O)CNC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H16ClFN2O2/c1-11-5-7-12(8-6-11)9-20-15(22)10-21-17(23)16-13(18)3-2-4-14(16)19/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeySLYHVAJDIMBTGT-UHFFFAOYSA-N
XLogP2.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-[(4-methylphenyl)methyl]benzamide
CID 8781288
2-chloro-6-fluoro-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 112993068
2-(2,6-difluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 108997244
2-(3-chloro-2-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 33164412
2-chloro-6-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 112996056
2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 14772555
N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide
CID 112999678
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009
2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide
CID 115636603
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2,6-difluorobenzamide
CID 86865949
2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64993974
4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 26850940

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide (CID 112992254) is 2-chloro-6-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide is Cc1ccc(CNC(=O)CNC(=O)c2c(F)cccc2Cl)cc1.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is SLYHVAJDIMBTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c1-11-5-7-12(8-6-11)9-20-15(22)10-21-17(23)16-13(18)3-2-4-14(16)19/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-chloro-6-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide?
2-chloro-6-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 334.78 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 112992254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).