4-fluoro-2-methyl-N-(3,4,5-trifluorophenyl)benzamide

C14H9F4NO — CID 115745629

IUPAC4-fluoro-2-methyl-N-(3,4,5-trifluorophenyl)benzamide
SMILESCc1cc(F)ccc1C(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H9F4NO/c1-7-4-8(15)2-3-10(7)14(20)19-9-5-11(16)13(18)12(17)6-9/h2-6H,1H3,(H,19,20)
InChIKeyNRDFPNQYZIGBPM-UHFFFAOYSA-N
MW283.22 g/mol
LogP3.80
Rot. Bonds2

About 4-fluoro-2-methyl-N-(3,4,5-trifluorophenyl)benzamide

4-fluoro-2-methyl-N-(3,4,5-trifluorophenyl)benzamide (PubChem CID 115745629) has the molecular formula C14H9F4NO and a molecular weight of 283.22 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(3,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(3,4,5-trifluorophenyl)benzamide
PubChem CID115745629
Molecular FormulaC14H9F4NO
Molecular Weight283.22 g/mol
Exact Mass283.06
IUPAC Name4-fluoro-2-methyl-N-(3,4,5-trifluorophenyl)benzamide
SMILESCc1cc(F)ccc1C(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H9F4NO/c1-7-4-8(15)2-3-10(7)14(20)19-9-5-11(16)13(18)12(17)6-9/h2-6H,1H3,(H,19,20)
InChIKeyNRDFPNQYZIGBPM-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.22
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-carbamoylphenyl)-4-fluoro-2-methylbenzamide
CID 115745097
N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 115745574
4-fluoro-N-(2-fluoro-5-methylphenyl)-2-methylbenzamide
CID 112702327
N-[4-(2-amino-2-oxoethyl)phenyl]-4-fluoro-2-methylbenzamide
CID 115745419
N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 112702520
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide
CID 115745693
1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772
N-[6-(dimethylamino)-3-pyridinyl]-4-fluoro-2-methylbenzamide
CID 115745290
2,3,4,5-tetrafluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 2397902
3-amino-4-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 62809093
N-(5-chloro-2-pyridinyl)-4-fluoro-2-methylbenzamide
CID 112702466
N'-acetyl-4-fluoro-2-methylbenzohydrazide
CID 115745372

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(3,4,5-trifluorophenyl)benzamide?
The IUPAC name of 4-fluoro-2-methyl-N-(3,4,5-trifluorophenyl)benzamide (CID 115745629) is 4-fluoro-2-methyl-N-(3,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(3,4,5-trifluorophenyl)benzamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(3,4,5-trifluorophenyl)benzamide is Cc1cc(F)ccc1C(=O)Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of 4-fluoro-2-methyl-N-(3,4,5-trifluorophenyl)benzamide?
The InChIKey is NRDFPNQYZIGBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4NO/c1-7-4-8(15)2-3-10(7)14(20)19-9-5-11(16)13(18)12(17)6-9/h2-6H,1H3,(H,19,20).
What are the key properties of 4-fluoro-2-methyl-N-(3,4,5-trifluorophenyl)benzamide?
4-fluoro-2-methyl-N-(3,4,5-trifluorophenyl)benzamide has a molecular weight of 283.22 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(3,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 115745629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).