N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide

C17H16ClFN2O2 — CID 113059321

IUPACN-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2O2/c1-12(22)21(14-8-6-13(19)7-9-14)11-10-20-17(23)15-4-2-3-5-16(15)18/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyGHYSMXMIOOCJQL-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.26
Rot. Bonds5

About N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide

N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide (PubChem CID 113059321) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide
PubChem CID113059321
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC NameN-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2O2/c1-12(22)21(14-8-6-13(19)7-9-14)11-10-20-17(23)15-4-2-3-5-16(15)18/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyGHYSMXMIOOCJQL-UHFFFAOYSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-fluorophenyl)acetamide
CID 113059334
N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-methoxybenzamide
CID 113059627
N-[2-(N-acetyl-4-fluoroanilino)ethyl]acetamide
CID 113059276
N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide
CID 113061648
N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide
CID 113060070
N-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-chlorobenzamide
CID 113063620
N-(4-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113059339
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide
CID 113059098
methyl N-[2-(N-acetyl-4-fluoroanilino)ethyl]carbamate
CID 113059341
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-chlorobenzamide
CID 113059832
N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide
CID 113059617
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113059331

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide?
The IUPAC name of N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide (CID 113059321) is N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide is CC(=O)N(CCNC(=O)c1ccccc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide?
The InChIKey is GHYSMXMIOOCJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c1-12(22)21(14-8-6-13(19)7-9-14)11-10-20-17(23)15-4-2-3-5-16(15)18/h2-9H,10-11H2,1H3,(H,20,23).
What are the key properties of N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide?
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide has a molecular weight of 334.78 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide is sourced from PubChem (CID 113059321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).