N-[4-(2-amino-2-oxoethyl)phenyl]-4-fluoro-2-methylbenzamide

C16H15FN2O2 — CID 115745419

IUPACN-[4-(2-amino-2-oxoethyl)phenyl]-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)Nc1ccc(CC(N)=O)cc1
InChIInChI=1S/C16H15FN2O2/c1-10-8-12(17)4-7-14(10)16(21)19-13-5-2-11(3-6-13)9-15(18)20/h2-8H,9H2,1H3,(H2,18,20)(H,19,21)
InChIKeyMEJUOSIJHCQUQB-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.41
Rot. Bonds4

About N-[4-(2-amino-2-oxoethyl)phenyl]-4-fluoro-2-methylbenzamide

N-[4-(2-amino-2-oxoethyl)phenyl]-4-fluoro-2-methylbenzamide (PubChem CID 115745419) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)phenyl]-4-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)phenyl]-4-fluoro-2-methylbenzamide
PubChem CID115745419
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC NameN-[4-(2-amino-2-oxoethyl)phenyl]-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)Nc1ccc(CC(N)=O)cc1
InChIInChI=1S/C16H15FN2O2/c1-10-8-12(17)4-7-14(10)16(21)19-13-5-2-11(3-6-13)9-15(18)20/h2-8H,9H2,1H3,(H2,18,20)(H,19,21)
InChIKeyMEJUOSIJHCQUQB-UHFFFAOYSA-N
XLogP2.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-carbamoylphenyl)-4-fluoro-2-methylbenzamide
CID 115745097
4-fluoro-2-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 115745629
2-amino-N-(4-ethylphenyl)-4-fluorobenzamide
CID 63109707
N-[4-(2-aminoethyl)phenyl]-2,4-dimethylbenzamide
CID 62302184
2,5-dimethyl-N-(4-methylphenyl)-4-[2-(4-methylphenyl)acetyl]benzamide
CID 158719301
2,4-dimethyl-N-(4-propylphenyl)benzamide
CID 42237293
N-(4-amino-4-oxobutyl)-4-fluoro-2-methylbenzamide
CID 112702489
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
N-(2-carbamoylphenyl)-4-fluoro-2-methylbenzamide
CID 115745249
N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 115745574
N-[6-(dimethylamino)-3-pyridinyl]-4-fluoro-2-methylbenzamide
CID 115745290
4-fluoro-N-(2-fluoro-5-methylphenyl)-2-methylbenzamide
CID 112702327

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-4-fluoro-2-methylbenzamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-4-fluoro-2-methylbenzamide (CID 115745419) is N-[4-(2-amino-2-oxoethyl)phenyl]-4-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)phenyl]-4-fluoro-2-methylbenzamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)phenyl]-4-fluoro-2-methylbenzamide is Cc1cc(F)ccc1C(=O)Nc1ccc(CC(N)=O)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)phenyl]-4-fluoro-2-methylbenzamide?
The InChIKey is MEJUOSIJHCQUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-10-8-12(17)4-7-14(10)16(21)19-13-5-2-11(3-6-13)9-15(18)20/h2-8H,9H2,1H3,(H2,18,20)(H,19,21).
What are the key properties of N-[4-(2-amino-2-oxoethyl)phenyl]-4-fluoro-2-methylbenzamide?
N-[4-(2-amino-2-oxoethyl)phenyl]-4-fluoro-2-methylbenzamide has a molecular weight of 286.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)phenyl]-4-fluoro-2-methylbenzamide is sourced from PubChem (CID 115745419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).