N-[2-(N-acetyl-2-chloroanilino)ethyl]-3-fluorobenzamide

C17H16ClFN2O2 — CID 113059416

IUPACN-[2-(N-acetyl-2-chloroanilino)ethyl]-3-fluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1cccc(F)c1)c1ccccc1Cl
InChIInChI=1S/C17H16ClFN2O2/c1-12(22)21(16-8-3-2-7-15(16)18)10-9-20-17(23)13-5-4-6-14(19)11-13/h2-8,11H,9-10H2,1H3,(H,20,23)
InChIKeyAAGNDAGNWQQJBP-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.26
Rot. Bonds5

About N-[2-(N-acetyl-2-chloroanilino)ethyl]-3-fluorobenzamide

N-[2-(N-acetyl-2-chloroanilino)ethyl]-3-fluorobenzamide (PubChem CID 113059416) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is N-[2-(N-acetyl-2-chloroanilino)ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2-chloroanilino)ethyl]-3-fluorobenzamide
PubChem CID113059416
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC NameN-[2-(N-acetyl-2-chloroanilino)ethyl]-3-fluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1cccc(F)c1)c1ccccc1Cl
InChIInChI=1S/C17H16ClFN2O2/c1-12(22)21(16-8-3-2-7-15(16)18)10-9-20-17(23)13-5-4-6-14(19)11-13/h2-8,11H,9-10H2,1H3,(H,20,23)
InChIKeyAAGNDAGNWQQJBP-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-2,3-dichloroanilino)ethyl]-3-fluorobenzamide
CID 113063846
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide
CID 113059811
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]benzamide
CID 113063841
N-[2-(N-acetyl-2-chloroanilino)ethyl]-3,4-dimethoxybenzamide
CID 113059429
N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-3-fluorobenzamide
CID 113063161
N-[2-(N-acetyl-2-chloroanilino)ethyl]pyridine-3-carboxamide
CID 113059444
N-[2-(N-acetyl-4-methylanilino)ethyl]-3-fluorobenzamide
CID 113057546
N-[2-(N-acetyl-3-methylanilino)ethyl]-3-fluorobenzamide
CID 113057422
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-fluorobenzamide
CID 113064610
N-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-chlorobenzamide
CID 113063620
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3-methoxybenzamide
CID 113059178
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3,4-dimethylbenzamide
CID 113059183

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2-chloroanilino)ethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-(N-acetyl-2-chloroanilino)ethyl]-3-fluorobenzamide (CID 113059416) is N-[2-(N-acetyl-2-chloroanilino)ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-(N-acetyl-2-chloroanilino)ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-(N-acetyl-2-chloroanilino)ethyl]-3-fluorobenzamide is CC(=O)N(CCNC(=O)c1cccc(F)c1)c1ccccc1Cl.
What is the InChIKey of N-[2-(N-acetyl-2-chloroanilino)ethyl]-3-fluorobenzamide?
The InChIKey is AAGNDAGNWQQJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c1-12(22)21(16-8-3-2-7-15(16)18)10-9-20-17(23)13-5-4-6-14(19)11-13/h2-8,11H,9-10H2,1H3,(H,20,23).
What are the key properties of N-[2-(N-acetyl-2-chloroanilino)ethyl]-3-fluorobenzamide?
N-[2-(N-acetyl-2-chloroanilino)ethyl]-3-fluorobenzamide 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-2-chloroanilino)ethyl]-3-fluorobenzamide is sourced from PubChem (CID 113059416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).