2-chloro-N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-6-fluorobenzamide

C18H18ClFN2O2 — CID 112997013

IUPAC2-chloro-N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-6-fluorobenzamide
SMILESCCc1cccc(C)c1NC(=O)CNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C18H18ClFN2O2/c1-3-12-7-4-6-11(2)17(12)22-15(23)10-21-18(24)16-13(19)8-5-9-14(16)20/h4-9H,3,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyHLXUGGCAUJMNDH-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.72
Rot. Bonds5

About 2-chloro-N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-6-fluorobenzamide

2-chloro-N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-6-fluorobenzamide (PubChem CID 112997013) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-6-fluorobenzamide
PubChem CID112997013
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name2-chloro-N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-6-fluorobenzamide
SMILESCCc1cccc(C)c1NC(=O)CNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C18H18ClFN2O2/c1-3-12-7-4-6-11(2)17(12)22-15(23)10-21-18(24)16-13(19)8-5-9-14(16)20/h4-9H,3,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyHLXUGGCAUJMNDH-UHFFFAOYSA-N
XLogP3.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 112996056
N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide
CID 112999678
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270127
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 112997001
2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64993974
N-[2-(3-acetylanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide
CID 112999524
2-amino-6-chloro-N-(2-ethyl-6-methylphenyl)benzamide
CID 63659820
ethyl 4-[[2-[(2-chloro-6-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 113000785
2-chloro-6-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992254
N'-(2-ethyl-6-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946276
2-(2,3-dichloroanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 54815902
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-6-fluorobenzamide (CID 112997013) is 2-chloro-N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-6-fluorobenzamide is CCc1cccc(C)c1NC(=O)CNC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-6-fluorobenzamide?
The InChIKey is HLXUGGCAUJMNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c1-3-12-7-4-6-11(2)17(12)22-15(23)10-21-18(24)16-13(19)8-5-9-14(16)20/h4-9H,3,10H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-chloro-N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-6-fluorobenzamide?
2-chloro-N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-6-fluorobenzamide has a molecular weight of 348.81 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-6-fluorobenzamide is sourced from PubChem (CID 112997013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).