N-[(2-fluorophenyl)methyl]-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)anilino]propanamide

C20H21F5N2O2 — CID 86953510

IUPACN-[(2-fluorophenyl)methyl]-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)anilino]propanamide
SMILESCC(Nc1cccc(COCC(F)(F)C(F)F)c1)C(=O)NCc1ccccc1F
InChIInChI=1S/C20H21F5N2O2/c1-13(18(28)26-10-15-6-2-3-8-17(15)21)27-16-7-4-5-14(9-16)11-29-12-20(24,25)19(22)23/h2-9,13,19,27H,10-12H2,1H3,(H,26,28)
InChIKeyLRTDGERUGDZMCK-UHFFFAOYSA-N
MW416.39 g/mol
LogP4.36
Rot. Bonds10

About N-[(2-fluorophenyl)methyl]-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)anilino]propanamide

N-[(2-fluorophenyl)methyl]-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)anilino]propanamide (PubChem CID 86953510) has the molecular formula C20H21F5N2O2 and a molecular weight of 416.39 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)anilino]propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)anilino]propanamide
PubChem CID86953510
Molecular FormulaC20H21F5N2O2
Molecular Weight416.39 g/mol
Exact Mass416.15
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)anilino]propanamide
SMILESCC(Nc1cccc(COCC(F)(F)C(F)F)c1)C(=O)NCc1ccccc1F
InChIInChI=1S/C20H21F5N2O2/c1-13(18(28)26-10-15-6-2-3-8-17(15)21)27-16-7-4-5-14(9-16)11-29-12-20(24,25)19(22)23/h2-9,13,19,27H,10-12H2,1H3,(H,26,28)
InChIKeyLRTDGERUGDZMCK-UHFFFAOYSA-N
XLogP4.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.39
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]acetamide
CID 86890323
N-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)aniline
CID 96531145
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
CID 19285860
(2S)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methoxyethoxy)anilino]propanamide
CID 96549747
1-(2-hydroxy-1-phenylethyl)-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea
CID 87003591
2-[3-(hydroxymethyl)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 110877911
1-[1-(2,5-dimethylphenyl)ethyl]-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea
CID 55770303
1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea
CID 86904726
tert-butyl N-[1-[[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]carbamoyl]cyclopentyl]carbamate
CID 86883194
(2R,3S)-2-methyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120925437
2-methyl-3-oxo-3-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]propanoic acid
CID 122066448
1-(2-ethylphenyl)-3-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]thiourea
CID 4866990

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)anilino]propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)anilino]propanamide (CID 86953510) is N-[(2-fluorophenyl)methyl]-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)anilino]propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)anilino]propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)anilino]propanamide is CC(Nc1cccc(COCC(F)(F)C(F)F)c1)C(=O)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)anilino]propanamide?
The InChIKey is LRTDGERUGDZMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F5N2O2/c1-13(18(28)26-10-15-6-2-3-8-17(15)21)27-16-7-4-5-14(9-16)11-29-12-20(24,25)19(22)23/h2-9,13,19,27H,10-12H2,1H3,(H,26,28).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)anilino]propanamide?
N-[(2-fluorophenyl)methyl]-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)anilino]propanamide has a molecular weight of 416.39 g/mol, XLogP of 4.36, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)anilino]propanamide is sourced from PubChem (CID 86953510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).