N-[4-(2,6-difluoroanilino)phenyl]-3-phenoxypropanamide

C21H18F2N2O2 — CID 112990218

IUPACN-[4-(2,6-difluoroanilino)phenyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1ccc(Nc2c(F)cccc2F)cc1
InChIInChI=1S/C21H18F2N2O2/c22-18-7-4-8-19(23)21(18)25-16-11-9-15(10-12-16)24-20(26)13-14-27-17-5-2-1-3-6-17/h1-12,25H,13-14H2,(H,24,26)
InChIKeyURQDCHSQQHIMPI-UHFFFAOYSA-N
MW368.38 g/mol
LogP5.12
Rot. Bonds7

About N-[4-(2,6-difluoroanilino)phenyl]-3-phenoxypropanamide

N-[4-(2,6-difluoroanilino)phenyl]-3-phenoxypropanamide (PubChem CID 112990218) has the molecular formula C21H18F2N2O2 and a molecular weight of 368.38 g/mol. Its IUPAC name is N-[4-(2,6-difluoroanilino)phenyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[4-(2,6-difluoroanilino)phenyl]-3-phenoxypropanamide
PubChem CID112990218
Molecular FormulaC21H18F2N2O2
Molecular Weight368.38 g/mol
Exact Mass368.13
IUPAC NameN-[4-(2,6-difluoroanilino)phenyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1ccc(Nc2c(F)cccc2F)cc1
InChIInChI=1S/C21H18F2N2O2/c22-18-7-4-8-19(23)21(18)25-16-11-9-15(10-12-16)24-20(26)13-14-27-17-5-2-1-3-6-17/h1-12,25H,13-14H2,(H,24,26)
InChIKeyURQDCHSQQHIMPI-UHFFFAOYSA-N
XLogP5.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.38
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
N-[4-(2,6-difluoroanilino)phenyl]-2-phenylacetamide
CID 112990214
N-[4-(3-methoxyanilino)phenyl]-3-phenoxypropanamide
CID 112987443
N-(4-tert-butylphenyl)-3-phenoxypropanamide
CID 7658805
3-(2-fluorophenoxy)-N-(4-fluorophenyl)propanamide
CID 47097682
3-[4-(2-fluorophenyl)phenoxy]-N-(4-hydroxyphenyl)propanamide
CID 138674441
N-(3-cyano-4-fluorophenyl)-3-phenoxypropanamide
CID 62315442
N-[2-(4-chloroanilino)-2-oxoethyl]-3-phenoxypropanamide
CID 112997910
N-(4-morpholin-4-ylphenyl)-3-phenoxypropanamide
CID 26269482
4-(3-anilino-3-oxopropoxy)benzoic acid
CID 43243922
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 7193216
N-[4-(5-chloro-2-methoxyanilino)phenyl]-3-phenoxypropanamide
CID 112987250

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-difluoroanilino)phenyl]-3-phenoxypropanamide?
The IUPAC name of N-[4-(2,6-difluoroanilino)phenyl]-3-phenoxypropanamide (CID 112990218) is N-[4-(2,6-difluoroanilino)phenyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[4-(2,6-difluoroanilino)phenyl]-3-phenoxypropanamide?
The canonical SMILES for N-[4-(2,6-difluoroanilino)phenyl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)Nc1ccc(Nc2c(F)cccc2F)cc1.
What is the InChIKey of N-[4-(2,6-difluoroanilino)phenyl]-3-phenoxypropanamide?
The InChIKey is URQDCHSQQHIMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O2/c22-18-7-4-8-19(23)21(18)25-16-11-9-15(10-12-16)24-20(26)13-14-27-17-5-2-1-3-6-17/h1-12,25H,13-14H2,(H,24,26).
What are the key properties of N-[4-(2,6-difluoroanilino)phenyl]-3-phenoxypropanamide?
N-[4-(2,6-difluoroanilino)phenyl]-3-phenoxypropanamide has a molecular weight of 368.38 g/mol, XLogP of 5.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-difluoroanilino)phenyl]-3-phenoxypropanamide is sourced from PubChem (CID 112990218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).