2-anilino-2-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propanamide

C17H15F5N2O2 — CID 154721793

IUPAC2-anilino-2-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propanamide
SMILESCC(C)(Nc1ccccc1)C(=O)NOCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H15F5N2O2/c1-17(2,23-9-6-4-3-5-7-9)16(25)24-26-8-10-11(18)13(20)15(22)14(21)12(10)19/h3-7,23H,8H2,1-2H3,(H,24,25)
InChIKeyWECXFHKLNMVNTI-UHFFFAOYSA-N
MW374.31 g/mol
LogP3.82
Rot. Bonds6

About 2-anilino-2-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propanamide

2-anilino-2-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propanamide (PubChem CID 154721793) has the molecular formula C17H15F5N2O2 and a molecular weight of 374.31 g/mol. Its IUPAC name is 2-anilino-2-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propanamide.

Molecular Properties

Compound Name2-anilino-2-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propanamide
PubChem CID154721793
Molecular FormulaC17H15F5N2O2
Molecular Weight374.31 g/mol
Exact Mass374.11
IUPAC Name2-anilino-2-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propanamide
SMILESCC(C)(Nc1ccccc1)C(=O)NOCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H15F5N2O2/c1-17(2,23-9-6-4-3-5-7-9)16(25)24-26-8-10-11(18)13(20)15(22)14(21)12(10)19/h3-7,23H,8H2,1-2H3,(H,24,25)
InChIKeyWECXFHKLNMVNTI-UHFFFAOYSA-N
XLogP3.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-N'-phenylmethoxyoctanediamide
CID 122177623
N-(2-aminophenyl)-N'-phenylmethoxyoctanediamide
CID 145986503
N-(2,5-difluorophenyl)-1-[(2-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 7190089
2-methyl-N-phenylmethoxy-2-[4-(trifluoromethyl)anilino]propanamide
CID 154721786
(2Z)-N-(2,3,4,5,6-pentafluorophenyl)-2-(2-phenylethoxyimino)propanamide
CID 177851969
(2Z)-2-(2-fluoro-2-phenylethoxy)imino-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 177851970
(2Z)-2-[2-(4-fluorophenyl)ethoxyimino]-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 177851971
(2Z)-2-[2-fluoro-2-(4-fluorophenyl)ethoxy]imino-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 177851972
N-(3-fluorophenyl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 7189955
N-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 7190002
N-(3,4-difluorophenyl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 7190010
N-(2-fluorophenyl)-1-[(2-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 7190045

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propanamide?
The IUPAC name of 2-anilino-2-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propanamide (CID 154721793) is 2-anilino-2-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propanamide.
What is the SMILES notation for 2-anilino-2-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propanamide?
The canonical SMILES for 2-anilino-2-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propanamide is CC(C)(Nc1ccccc1)C(=O)NOCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-anilino-2-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propanamide?
The InChIKey is WECXFHKLNMVNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F5N2O2/c1-17(2,23-9-6-4-3-5-7-9)16(25)24-26-8-10-11(18)13(20)15(22)14(21)12(10)19/h3-7,23H,8H2,1-2H3,(H,24,25).
What are the key properties of 2-anilino-2-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propanamide?
2-anilino-2-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propanamide has a molecular weight of 374.31 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propanamide is sourced from PubChem (CID 154721793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).