3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide

C22H21FN2O2 — CID 109037756

IUPAC3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
SMILESO=C(CCNc1ccc(F)cc1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H21FN2O2/c23-18-6-8-19(9-7-18)24-15-14-22(26)25-20-10-12-21(13-11-20)27-16-17-4-2-1-3-5-17/h1-13,24H,14-16H2,(H,25,26)
InChIKeyOZNTZJVHHYOCQD-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.85
Rot. Bonds8

About 3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide

3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 109037756) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is 3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID109037756
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Name3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
SMILESO=C(CCNc1ccc(F)cc1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H21FN2O2/c23-18-6-8-19(9-7-18)24-15-14-22(26)25-20-10-12-21(13-11-20)27-16-17-4-2-1-3-5-17/h1-13,24H,14-16H2,(H,25,26)
InChIKeyOZNTZJVHHYOCQD-UHFFFAOYSA-N
XLogP4.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109042006
N-(4-acetylphenyl)-3-(4-phenylmethoxyanilino)propanamide
CID 109041002
3-(3-chloroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109038069
3-(2-hydroxyethylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 143395384
3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 109042013
N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide
CID 54821938
N-(2-methoxyethyl)-3-(4-phenylmethoxyanilino)propanamide
CID 109015111
N-butyl-3-(4-phenylmethoxyanilino)propanamide
CID 109012323
[4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium
CID 42149432
2-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 109010754
N-(4-phenylmethoxyphenyl)-3-(quinolin-8-ylamino)propanamide
CID 109042005
3-(4-phenylmethoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 109023893

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of 3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide (CID 109037756) is 3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for 3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide is O=C(CCNc1ccc(F)cc1)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is OZNTZJVHHYOCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c23-18-6-8-19(9-7-18)24-15-14-22(26)25-20-10-12-21(13-11-20)27-16-17-4-2-1-3-5-17/h1-13,24H,14-16H2,(H,25,26).
What are the key properties of 3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide?
3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 364.42 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 109037756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).