N-(2,4-difluorophenyl)-3-(phenoxymethyl)furan-2-carboxamide

C18H13F2NO3 — CID 17493088

IUPACN-(2,4-difluorophenyl)-3-(phenoxymethyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1occc1COc1ccccc1
InChIInChI=1S/C18H13F2NO3/c19-13-6-7-16(15(20)10-13)21-18(22)17-12(8-9-23-17)11-24-14-4-2-1-3-5-14/h1-10H,11H2,(H,21,22)
InChIKeyUTGIXMGVPGUEIN-UHFFFAOYSA-N
MW329.30 g/mol
LogP4.39
Rot. Bonds5

About N-(2,4-difluorophenyl)-3-(phenoxymethyl)furan-2-carboxamide

N-(2,4-difluorophenyl)-3-(phenoxymethyl)furan-2-carboxamide (PubChem CID 17493088) has the molecular formula C18H13F2NO3 and a molecular weight of 329.30 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-(phenoxymethyl)furan-2-carboxamide
PubChem CID17493088
Molecular FormulaC18H13F2NO3
Molecular Weight329.30 g/mol
Exact Mass329.09
IUPAC NameN-(2,4-difluorophenyl)-3-(phenoxymethyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1occc1COc1ccccc1
InChIInChI=1S/C18H13F2NO3/c19-13-6-7-16(15(20)10-13)21-18(22)17-12(8-9-23-17)11-24-14-4-2-1-3-5-14/h1-10H,11H2,(H,21,22)
InChIKeyUTGIXMGVPGUEIN-UHFFFAOYSA-N
XLogP4.39
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 17454230
N-(2,5-dichlorophenyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 25400603
N-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46697697
3-[(3-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 63577037
N-[4-fluoro-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 43061970
ethyl N-[2-methyl-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]carbamate
CID 87043175
3-(phenoxymethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 29370752
N-(1,3-benzodioxol-5-yl)-3-(phenoxymethyl)furan-2-carboxamide
CID 25398439
3-(phenoxymethyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]furan-2-carboxamide
CID 38668380
N-ethoxy-3-(phenoxymethyl)furan-2-carboxamide
CID 30690709
N-[3-(cyclopropanecarbonylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 30804525
N-[2-fluoro-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 55540200

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-(phenoxymethyl)furan-2-carboxamide (CID 17493088) is N-(2,4-difluorophenyl)-3-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-(phenoxymethyl)furan-2-carboxamide is O=C(Nc1ccc(F)cc1F)c1occc1COc1ccccc1.
What is the InChIKey of N-(2,4-difluorophenyl)-3-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is UTGIXMGVPGUEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NO3/c19-13-6-7-16(15(20)10-13)21-18(22)17-12(8-9-23-17)11-24-14-4-2-1-3-5-14/h1-10H,11H2,(H,21,22).
What are the key properties of N-(2,4-difluorophenyl)-3-(phenoxymethyl)furan-2-carboxamide?
N-(2,4-difluorophenyl)-3-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 329.30 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 17493088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).