N-[4-(difluoromethoxy)-3-fluorophenyl]-2-phenylmethoxypropanamide

C17H16F3NO3 — CID 87026041

IUPACN-[4-(difluoromethoxy)-3-fluorophenyl]-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)Nc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C17H16F3NO3/c1-11(23-10-12-5-3-2-4-6-12)16(22)21-13-7-8-15(14(18)9-13)24-17(19)20/h2-9,11,17H,10H2,1H3,(H,21,22)
InChIKeyYYQPLFWPMNPQBE-UHFFFAOYSA-N
MW339.31 g/mol
LogP3.97
Rot. Bonds7

About N-[4-(difluoromethoxy)-3-fluorophenyl]-2-phenylmethoxypropanamide

N-[4-(difluoromethoxy)-3-fluorophenyl]-2-phenylmethoxypropanamide (PubChem CID 87026041) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-fluorophenyl]-2-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-fluorophenyl]-2-phenylmethoxypropanamide
PubChem CID87026041
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC NameN-[4-(difluoromethoxy)-3-fluorophenyl]-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)Nc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C17H16F3NO3/c1-11(23-10-12-5-3-2-4-6-12)16(22)21-13-7-8-15(14(18)9-13)24-17(19)20/h2-9,11,17H,10H2,1H3,(H,21,22)
InChIKeyYYQPLFWPMNPQBE-UHFFFAOYSA-N
XLogP3.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(hydroxymethyl)phenyl]-2-phenylmethoxypropanamide
CID 64792798
2-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpentanamide;hydrochloride
CID 119734387
N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide
CID 61062106
1-[4-(difluoromethoxy)-3-fluorophenyl]-3-propan-2-ylurea
CID 47261837
2-chloro-N-phenyl-5-(2-phenylmethoxypropanoylamino)benzamide
CID 86954742
N-(4-cyanophenyl)-2-phenylmethoxypropanamide
CID 43187551
N-(3-cyanophenyl)-2-phenylmethoxypropanamide
CID 43187553
3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride
CID 119295358
N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]carbamoylamino]ethyl]acetamide
CID 51085552
3-[4-(2-phenylmethoxypropanoylamino)phenyl]butanoic acid
CID 113419980
2-methyl-2-[4-(2-phenylmethoxypropanoylamino)phenyl]propanoic acid
CID 119253847
2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide
CID 60807874

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]-2-phenylmethoxypropanamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]-2-phenylmethoxypropanamide (CID 87026041) is N-[4-(difluoromethoxy)-3-fluorophenyl]-2-phenylmethoxypropanamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-fluorophenyl]-2-phenylmethoxypropanamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-fluorophenyl]-2-phenylmethoxypropanamide is CC(OCc1ccccc1)C(=O)Nc1ccc(OC(F)F)c(F)c1.
What is the InChIKey of N-[4-(difluoromethoxy)-3-fluorophenyl]-2-phenylmethoxypropanamide?
The InChIKey is YYQPLFWPMNPQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3/c1-11(23-10-12-5-3-2-4-6-12)16(22)21-13-7-8-15(14(18)9-13)24-17(19)20/h2-9,11,17H,10H2,1H3,(H,21,22).
What are the key properties of N-[4-(difluoromethoxy)-3-fluorophenyl]-2-phenylmethoxypropanamide?
N-[4-(difluoromethoxy)-3-fluorophenyl]-2-phenylmethoxypropanamide has a molecular weight of 339.31 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-fluorophenyl]-2-phenylmethoxypropanamide is sourced from PubChem (CID 87026041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).