N-[2-(3-acetylanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide

C17H14ClFN2O3 — CID 112999524

IUPACN-[2-(3-acetylanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide
SMILESCC(=O)c1cccc(NC(=O)CNC(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C17H14ClFN2O3/c1-10(22)11-4-2-5-12(8-11)21-15(23)9-20-17(24)16-13(18)6-3-7-14(16)19/h2-8H,9H2,1H3,(H,20,24)(H,21,23)
InChIKeyHRZANECAXWBMIS-UHFFFAOYSA-N
MW348.76 g/mol
LogP3.05
Rot. Bonds5

About N-[2-(3-acetylanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide

N-[2-(3-acetylanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide (PubChem CID 112999524) has the molecular formula C17H14ClFN2O3 and a molecular weight of 348.76 g/mol. Its IUPAC name is N-[2-(3-acetylanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(3-acetylanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide
PubChem CID112999524
Molecular FormulaC17H14ClFN2O3
Molecular Weight348.76 g/mol
Exact Mass348.07
IUPAC NameN-[2-(3-acetylanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide
SMILESCC(=O)c1cccc(NC(=O)CNC(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C17H14ClFN2O3/c1-10(22)11-4-2-5-12(8-11)21-15(23)9-20-17(24)16-13(18)6-3-7-14(16)19/h2-8H,9H2,1H3,(H,20,24)(H,21,23)
InChIKeyHRZANECAXWBMIS-UHFFFAOYSA-N
XLogP3.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.76
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide
CID 112999678
ethyl 4-[[2-[(2-chloro-6-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 113000785
2-chloro-6-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 112996056
N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide
CID 34830762
3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride
CID 23150024
2-(3-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9084520
2-chloro-N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-6-fluorobenzamide
CID 112997013
2-chloro-6-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992254
N-(3-acetylphenyl)-2-(4-chloroanilino)acetamide
CID 26506544
N-(3-acetylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 42069766
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009
2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide
CID 115636603

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetylanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide?
The IUPAC name of N-[2-(3-acetylanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide (CID 112999524) is N-[2-(3-acetylanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[2-(3-acetylanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[2-(3-acetylanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide is CC(=O)c1cccc(NC(=O)CNC(=O)c2c(F)cccc2Cl)c1.
What is the InChIKey of N-[2-(3-acetylanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide?
The InChIKey is HRZANECAXWBMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O3/c1-10(22)11-4-2-5-12(8-11)21-15(23)9-20-17(24)16-13(18)6-3-7-14(16)19/h2-8H,9H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-[2-(3-acetylanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide?
N-[2-(3-acetylanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide has a molecular weight of 348.76 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetylanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 112999524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).