N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-formyl-N-methylbenzamide

C19H19F2NO2 — CID 145417827

IUPACN-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-formyl-N-methylbenzamide
SMILESCC(Cc1cc(F)cc(F)c1)CN(C)C(=O)c1ccccc1C=O
InChIInChI=1S/C19H19F2NO2/c1-13(7-14-8-16(20)10-17(21)9-14)11-22(2)19(24)18-6-4-3-5-15(18)12-23/h3-6,8-10,12-13H,7,11H2,1-2H3
InChIKeyRMORTIOPRVONQH-UHFFFAOYSA-N
MW331.36 g/mol
LogP3.73
Rot. Bonds6

About N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-formyl-N-methylbenzamide

N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-formyl-N-methylbenzamide (PubChem CID 145417827) has the molecular formula C19H19F2NO2 and a molecular weight of 331.36 g/mol. Its IUPAC name is N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-formyl-N-methylbenzamide.

Molecular Properties

Compound NameN-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-formyl-N-methylbenzamide
PubChem CID145417827
Molecular FormulaC19H19F2NO2
Molecular Weight331.36 g/mol
Exact Mass331.14
IUPAC NameN-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-formyl-N-methylbenzamide
SMILESCC(Cc1cc(F)cc(F)c1)CN(C)C(=O)c1ccccc1C=O
InChIInChI=1S/C19H19F2NO2/c1-13(7-14-8-16(20)10-17(21)9-14)11-22(2)19(24)18-6-4-3-5-15(18)12-23/h3-6,8-10,12-13H,7,11H2,1-2H3
InChIKeyRMORTIOPRVONQH-UHFFFAOYSA-N
XLogP3.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-but-2-ene;N-(3-chloro-2-hydroxypropyl)-2-formyl-N-methylbenzamide;propane
CID 143985176
2-formyl-N-heptyl-N-methylbenzamide
CID 144774360
N-(5,6-dihydroxyhexyl)-2-formyl-N-methylbenzamide
CID 130371515
4-(3,5-difluorophenyl)-3-methylbutanoic acid
CID 105411374
N-[[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]methyl]-2-formyl-N-methylbenzamide
CID 134191771
N-[3-[benzyl(ethyl)amino]propyl]-2-formyl-N-methylbenzamide
CID 139304498
2-fluoro-N-methyl-N-(2-methylbutyl)pyridine-3-carboxamide
CID 107363082
N-(3-amino-2-methylpropyl)-2,5-difluoro-N-methylbenzamide
CID 54991847
ethyl-[[4-[[2-[(2-formylbenzoyl)-methylamino]ethyl-dimethylazaniumyl]methyl]phenyl]methyl]-dimethylazanium
CID 165403293
2-bromo-5-fluoro-N-methyl-N-(2-methylbutyl)benzamide
CID 43296128
methyl 3-[4-[[(2-formylbenzoyl)-methylamino]methyl]phenyl]benzoate
CID 142157717
methyl 2-[2-chloro-4-fluoro-5-[(2-formylbenzoyl)-methylamino]phenyl]sulfanylacetate
CID 143033553

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-formyl-N-methylbenzamide?
The IUPAC name of N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-formyl-N-methylbenzamide (CID 145417827) is N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-formyl-N-methylbenzamide.
What is the SMILES notation for N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-formyl-N-methylbenzamide?
The canonical SMILES for N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-formyl-N-methylbenzamide is CC(Cc1cc(F)cc(F)c1)CN(C)C(=O)c1ccccc1C=O.
What is the InChIKey of N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-formyl-N-methylbenzamide?
The InChIKey is RMORTIOPRVONQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO2/c1-13(7-14-8-16(20)10-17(21)9-14)11-22(2)19(24)18-6-4-3-5-15(18)12-23/h3-6,8-10,12-13H,7,11H2,1-2H3.
What are the key properties of N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-formyl-N-methylbenzamide?
N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-formyl-N-methylbenzamide has a molecular weight of 331.36 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-formyl-N-methylbenzamide is sourced from PubChem (CID 145417827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).