3-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]propanamide

C18H17F4NO2 — CID 86922906

IUPAC3-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]propanamide
SMILESCC(NC(=O)CCc1ccc(OC(F)F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H17F4NO2/c1-11(13-5-8-15(19)16(20)10-13)23-17(24)9-4-12-2-6-14(7-3-12)25-18(21)22/h2-3,5-8,10-11,18H,4,9H2,1H3,(H,23,24)
InChIKeyFMRCUBUEMVSMNY-UHFFFAOYSA-N
MW355.33 g/mol
LogP4.38
Rot. Bonds7

About 3-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]propanamide

3-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]propanamide (PubChem CID 86922906) has the molecular formula C18H17F4NO2 and a molecular weight of 355.33 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]propanamide
PubChem CID86922906
Molecular FormulaC18H17F4NO2
Molecular Weight355.33 g/mol
Exact Mass355.12
IUPAC Name3-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]propanamide
SMILESCC(NC(=O)CCc1ccc(OC(F)F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H17F4NO2/c1-11(13-5-8-15(19)16(20)10-13)23-17(24)9-4-12-2-6-14(7-3-12)25-18(21)22/h2-3,5-8,10-11,18H,4,9H2,1H3,(H,23,24)
InChIKeyFMRCUBUEMVSMNY-UHFFFAOYSA-N
XLogP4.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 78808643
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 51291188
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-pyridin-4-ylpropanamide
CID 60504747
N-[1-(3,4-difluorophenyl)ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275714
3-(1,3-benzodioxol-5-yl)-N-[1-[4-(difluoromethoxy)phenyl]ethyl]propanamide
CID 42948379
2-[3-[4-(difluoromethoxy)phenyl]propanoylamino]propanoic acid
CID 119225804
N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 60630405
N-[(2S)-1-aminopropan-2-yl]-3-[4-(difluoromethoxy)phenyl]propanamide
CID 120507742
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]pentanamide
CID 43697347
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
CID 112764194
N-[1-(3,4-difluorophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 18084334
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-thiophen-3-ylpropanamide
CID 42961602

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]propanamide?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]propanamide (CID 86922906) is 3-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]propanamide is CC(NC(=O)CCc1ccc(OC(F)F)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]propanamide?
The InChIKey is FMRCUBUEMVSMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4NO2/c1-11(13-5-8-15(19)16(20)10-13)23-17(24)9-4-12-2-6-14(7-3-12)25-18(21)22/h2-3,5-8,10-11,18H,4,9H2,1H3,(H,23,24).
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]propanamide?
3-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]propanamide has a molecular weight of 355.33 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]propanamide is sourced from PubChem (CID 86922906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).