N-[2-(N-acetyl-4-methylanilino)ethyl]-3-fluorobenzamide

C18H19FN2O2 — CID 113057546

IUPACN-[2-(N-acetyl-4-methylanilino)ethyl]-3-fluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1cccc(F)c1)c1ccc(C)cc1
InChIInChI=1S/C18H19FN2O2/c1-13-6-8-17(9-7-13)21(14(2)22)11-10-20-18(23)15-4-3-5-16(19)12-15/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeyVZRIILRLIDVKOE-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.92
Rot. Bonds5

About N-[2-(N-acetyl-4-methylanilino)ethyl]-3-fluorobenzamide

N-[2-(N-acetyl-4-methylanilino)ethyl]-3-fluorobenzamide (PubChem CID 113057546) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-methylanilino)ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-methylanilino)ethyl]-3-fluorobenzamide
PubChem CID113057546
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-[2-(N-acetyl-4-methylanilino)ethyl]-3-fluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1cccc(F)c1)c1ccc(C)cc1
InChIInChI=1S/C18H19FN2O2/c1-13-6-8-17(9-7-13)21(14(2)22)11-10-20-18(23)15-4-3-5-16(19)12-15/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeyVZRIILRLIDVKOE-UHFFFAOYSA-N
XLogP2.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-3-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113062649
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide
CID 113059811
N-[2-(N-acetyl-2-chloroanilino)ethyl]-3-fluorobenzamide
CID 113059416
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]-3-fluorobenzamide
CID 113063846
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113059331
methyl 4-[acetyl-[2-[(4-methylbenzoyl)amino]ethyl]amino]benzoate
CID 113062028
N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide
CID 113061648
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-bromobenzamide
CID 113064613
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113062203
N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-3-fluorobenzamide
CID 113063161

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-methylanilino)ethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-(N-acetyl-4-methylanilino)ethyl]-3-fluorobenzamide (CID 113057546) is N-[2-(N-acetyl-4-methylanilino)ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-(N-acetyl-4-methylanilino)ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-(N-acetyl-4-methylanilino)ethyl]-3-fluorobenzamide is CC(=O)N(CCNC(=O)c1cccc(F)c1)c1ccc(C)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-methylanilino)ethyl]-3-fluorobenzamide?
The InChIKey is VZRIILRLIDVKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-13-6-8-17(9-7-13)21(14(2)22)11-10-20-18(23)15-4-3-5-16(19)12-15/h3-9,12H,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(N-acetyl-4-methylanilino)ethyl]-3-fluorobenzamide?
N-[2-(N-acetyl-4-methylanilino)ethyl]-3-fluorobenzamide has a molecular weight of 314.36 g/mol, XLogP of 2.92, 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-methylanilino)ethyl]-3-fluorobenzamide is sourced from PubChem (CID 113057546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).