N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzamide

C16H14FNO2 — CID 94280945

IUPACN-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H14FNO2/c1-11-4-2-3-5-14(11)16(20)18-10-15(19)12-6-8-13(17)9-7-12/h2-9H,10H2,1H3,(H,18,20)
InChIKeyBDFQTFDTPQFTTO-UHFFFAOYSA-N
MW271.29 g/mol
LogP2.75
Rot. Bonds4

About N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzamide

N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzamide (PubChem CID 94280945) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzamide
PubChem CID94280945
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC NameN-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H14FNO2/c1-11-4-2-3-5-14(11)16(20)18-10-15(19)12-6-8-13(17)9-7-12/h2-9H,10H2,1H3,(H,18,20)
InChIKeyBDFQTFDTPQFTTO-UHFFFAOYSA-N
XLogP2.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide
CID 2681293
N-(hydroxymethyl)-2-methylbenzamide
CID 5234338
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-(2-methylphenoxy)acetamide
CID 110661711
N-[2-(4-fluorophenyl)-2-oxoethyl]-4-(2-methylphenyl)butanamide
CID 110607579
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 18289243
2-fluoro-N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 9220655
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 21383192
2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 18105664
2-chloro-N-[2-(3-fluorophenyl)-2-oxoethyl]benzamide
CID 134123734
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide
CID 17395084
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 46795940
ethane;N-(2-hydroxyethyl)-2-methylbenzamide
CID 143093743

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzamide (CID 94280945) is N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzamide?
The InChIKey is BDFQTFDTPQFTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-11-4-2-3-5-14(11)16(20)18-10-15(19)12-6-8-13(17)9-7-12/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzamide?
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzamide has a molecular weight of 271.29 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 94280945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).