N-(3-acetylphenyl)-5-amino-2-fluoro-3-methylbenzamide

C16H15FN2O2 — CID 103296066

IUPACN-(3-acetylphenyl)-5-amino-2-fluoro-3-methylbenzamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(N)cc(C)c2F)c1
InChIInChI=1S/C16H15FN2O2/c1-9-6-12(18)8-14(15(9)17)16(21)19-13-5-3-4-11(7-13)10(2)20/h3-8H,18H2,1-2H3,(H,19,21)
InChIKeyKTYHJLVGMVVSIH-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.17
Rot. Bonds3

About N-(3-acetylphenyl)-5-amino-2-fluoro-3-methylbenzamide

N-(3-acetylphenyl)-5-amino-2-fluoro-3-methylbenzamide (PubChem CID 103296066) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-amino-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-amino-2-fluoro-3-methylbenzamide
PubChem CID103296066
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC NameN-(3-acetylphenyl)-5-amino-2-fluoro-3-methylbenzamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(N)cc(C)c2F)c1
InChIInChI=1S/C16H15FN2O2/c1-9-6-12(18)8-14(15(9)17)16(21)19-13-5-3-4-11(7-13)10(2)20/h3-8H,18H2,1-2H3,(H,19,21)
InChIKeyKTYHJLVGMVVSIH-UHFFFAOYSA-N
XLogP3.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(3-carbamoylphenyl)-2-fluoro-3-methylbenzamide
CID 103296054
5-amino-2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 103296273
N-(3-acetylphenyl)-3,5-dimethylbenzamide
CID 969392
5-amino-N-(1,3-benzothiazol-6-yl)-2-fluoro-3-methylbenzamide
CID 107802448
N-(3-aminophenyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297780
N-(3-acetylphenyl)-4-chloro-2,5-difluorobenzamide
CID 82773116
N-(3-acetylphenyl)-2,5-dimethylfuran-3-carboxamide
CID 4057606
N-(3-acetylphenyl)-2-methylfuran-3-carboxamide
CID 896770
5-amino-2-fluoro-3-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 103296420
N-(3-acetylphenyl)-2-methylpyridine-3-carboxamide
CID 78950839
N-(3-acetylphenyl)-4-hydroxy-3-methylbenzamide
CID 103955356
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide
CID 103295840

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-amino-2-fluoro-3-methylbenzamide?
The IUPAC name of N-(3-acetylphenyl)-5-amino-2-fluoro-3-methylbenzamide (CID 103296066) is N-(3-acetylphenyl)-5-amino-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-amino-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-(3-acetylphenyl)-5-amino-2-fluoro-3-methylbenzamide is CC(=O)c1cccc(NC(=O)c2cc(N)cc(C)c2F)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-amino-2-fluoro-3-methylbenzamide?
The InChIKey is KTYHJLVGMVVSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-9-6-12(18)8-14(15(9)17)16(21)19-13-5-3-4-11(7-13)10(2)20/h3-8H,18H2,1-2H3,(H,19,21).
What are the key properties of N-(3-acetylphenyl)-5-amino-2-fluoro-3-methylbenzamide?
N-(3-acetylphenyl)-5-amino-2-fluoro-3-methylbenzamide has a molecular weight of 286.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-amino-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 103296066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).