2-chloro-6-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide

C16H14ClFN2O2 — CID 112996056

IUPAC2-chloro-6-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
SMILESCc1ccccc1NC(=O)CNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C16H14ClFN2O2/c1-10-5-2-3-8-13(10)20-14(21)9-19-16(22)15-11(17)6-4-7-12(15)18/h2-8H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyYEPYWBJKGSCNDJ-UHFFFAOYSA-N
MW320.75 g/mol
LogP3.16
Rot. Bonds4

About 2-chloro-6-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide

2-chloro-6-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide (PubChem CID 112996056) has the molecular formula C16H14ClFN2O2 and a molecular weight of 320.75 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
PubChem CID112996056
Molecular FormulaC16H14ClFN2O2
Molecular Weight320.75 g/mol
Exact Mass320.07
IUPAC Name2-chloro-6-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
SMILESCc1ccccc1NC(=O)CNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C16H14ClFN2O2/c1-10-5-2-3-8-13(10)20-14(21)9-19-16(22)15-11(17)6-4-7-12(15)18/h2-8H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyYEPYWBJKGSCNDJ-UHFFFAOYSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-6-fluorobenzamide
CID 112997013
N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide
CID 112999678
4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 934733
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2,6-difluorobenzamide
CID 86865949
N-[2-(3-acetylanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide
CID 112999524
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 21383192
2-chloro-6-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992254
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009
2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide
CID 115636603
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide
CID 26682013
2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64993974
2-chloro-N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-6-fluorobenzamide
CID 4171005

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide (CID 112996056) is 2-chloro-6-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide is Cc1ccccc1NC(=O)CNC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide?
The InChIKey is YEPYWBJKGSCNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O2/c1-10-5-2-3-8-13(10)20-14(21)9-19-16(22)15-11(17)6-4-7-12(15)18/h2-8H,9H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-chloro-6-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide?
2-chloro-6-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide has a molecular weight of 320.75 g/mol, XLogP of 3.16, 4 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-(2-methylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 112996056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).