N-(2-carbamoyl-6-fluorophenyl)-2,4,5-trifluoro-N-methylbenzamide

C15H10F4N2O2 — CID 91650502

IUPACN-(2-carbamoyl-6-fluorophenyl)-2,4,5-trifluoro-N-methylbenzamide
SMILESCN(C(=O)c1cc(F)c(F)cc1F)c1c(F)cccc1C(N)=O
InChIInChI=1S/C15H10F4N2O2/c1-21(13-7(14(20)22)3-2-4-9(13)16)15(23)8-5-11(18)12(19)6-10(8)17/h2-6H,1H3,(H2,20,22)
InChIKeyLWVJWAQQJHAGTA-UHFFFAOYSA-N
MW326.25 g/mol
LogP2.62
Rot. Bonds3

About N-(2-carbamoyl-6-fluorophenyl)-2,4,5-trifluoro-N-methylbenzamide

N-(2-carbamoyl-6-fluorophenyl)-2,4,5-trifluoro-N-methylbenzamide (PubChem CID 91650502) has the molecular formula C15H10F4N2O2 and a molecular weight of 326.25 g/mol. Its IUPAC name is N-(2-carbamoyl-6-fluorophenyl)-2,4,5-trifluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-carbamoyl-6-fluorophenyl)-2,4,5-trifluoro-N-methylbenzamide
PubChem CID91650502
Molecular FormulaC15H10F4N2O2
Molecular Weight326.25 g/mol
Exact Mass326.07
IUPAC NameN-(2-carbamoyl-6-fluorophenyl)-2,4,5-trifluoro-N-methylbenzamide
SMILESCN(C(=O)c1cc(F)c(F)cc1F)c1c(F)cccc1C(N)=O
InChIInChI=1S/C15H10F4N2O2/c1-21(13-7(14(20)22)3-2-4-9(13)16)15(23)8-5-11(18)12(19)6-10(8)17/h2-6H,1H3,(H2,20,22)
InChIKeyLWVJWAQQJHAGTA-UHFFFAOYSA-N
XLogP2.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2,6-difluorophenyl)-N-methylbenzamide
CID 82090708
3-amino-2-(2-fluoro-N-methylanilino)benzamide
CID 112578744
(2-fluorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301189
N-(3-carbamothioylphenyl)-2-chloro-3-fluoro-N-methylbenzamide
CID 81453831
N-(2,6-difluorophenyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 123904260
[amino-(2-fluoro-N,6-dimethylanilino)methylidene]urea
CID 57257094
2-fluorobenzamide;dihydrochloride
CID 22563899
2-fluoro-3-[(3-fluorobenzoyl)-methylamino]benzamide
CID 141412363
2-tert-butyl-3-fluorobenzamide
CID 118328410
2-amino-N-(2,6-difluorophenyl)-N-methylacetamide
CID 28794668
2-amino-1-[2-(dimethylamino)-3-fluorophenyl]ethanone
CID 117115563
3-fluoro-2-[methyl(propoxycarbonyl)amino]benzoic acid
CID 129317797

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoyl-6-fluorophenyl)-2,4,5-trifluoro-N-methylbenzamide?
The IUPAC name of N-(2-carbamoyl-6-fluorophenyl)-2,4,5-trifluoro-N-methylbenzamide (CID 91650502) is N-(2-carbamoyl-6-fluorophenyl)-2,4,5-trifluoro-N-methylbenzamide.
What is the SMILES notation for N-(2-carbamoyl-6-fluorophenyl)-2,4,5-trifluoro-N-methylbenzamide?
The canonical SMILES for N-(2-carbamoyl-6-fluorophenyl)-2,4,5-trifluoro-N-methylbenzamide is CN(C(=O)c1cc(F)c(F)cc1F)c1c(F)cccc1C(N)=O.
What is the InChIKey of N-(2-carbamoyl-6-fluorophenyl)-2,4,5-trifluoro-N-methylbenzamide?
The InChIKey is LWVJWAQQJHAGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2O2/c1-21(13-7(14(20)22)3-2-4-9(13)16)15(23)8-5-11(18)12(19)6-10(8)17/h2-6H,1H3,(H2,20,22).
What are the key properties of N-(2-carbamoyl-6-fluorophenyl)-2,4,5-trifluoro-N-methylbenzamide?
N-(2-carbamoyl-6-fluorophenyl)-2,4,5-trifluoro-N-methylbenzamide has a molecular weight of 326.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoyl-6-fluorophenyl)-2,4,5-trifluoro-N-methylbenzamide is sourced from PubChem (CID 91650502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).