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

C17H15ClFN3O3 — CID 112999678

IUPACN-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide
SMILESCC(=O)Nc1cccc(NC(=O)CNC(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C17H15ClFN3O3/c1-10(23)21-11-4-2-5-12(8-11)22-15(24)9-20-17(25)16-13(18)6-3-7-14(16)19/h2-8H,9H2,1H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyCGDXNWQDYZPSBN-UHFFFAOYSA-N
MW363.78 g/mol
LogP2.81
Rot. Bonds5

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

N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide (PubChem CID 112999678) has the molecular formula C17H15ClFN3O3 and a molecular weight of 363.78 g/mol. Its IUPAC name is N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide
PubChem CID112999678
Molecular FormulaC17H15ClFN3O3
Molecular Weight363.78 g/mol
Exact Mass363.08
IUPAC NameN-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide
SMILESCC(=O)Nc1cccc(NC(=O)CNC(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C17H15ClFN3O3/c1-10(23)21-11-4-2-5-12(8-11)22-15(24)9-20-17(25)16-13(18)6-3-7-14(16)19/h2-8H,9H2,1H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyCGDXNWQDYZPSBN-UHFFFAOYSA-N
XLogP2.81
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-acetylanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide
CID 112999524
[2-(3-acetamidoanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820358
2-chloro-6-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 112996056
ethyl 4-[[2-[(2-chloro-6-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 113000785
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-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113049239
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
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide?
The IUPAC name of N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide (CID 112999678) is N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide is CC(=O)Nc1cccc(NC(=O)CNC(=O)c2c(F)cccc2Cl)c1.
What is the InChIKey of N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide?
The InChIKey is CGDXNWQDYZPSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O3/c1-10(23)21-11-4-2-5-12(8-11)22-15(24)9-20-17(25)16-13(18)6-3-7-14(16)19/h2-8H,9H2,1H3,(H,20,25)(H,21,23)(H,22,24).
What are the key properties of N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide?
N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide has a molecular weight of 363.78 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 112999678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).