3-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide

C22H20F2N2O2 — CID 109042006

IUPAC3-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
SMILESO=C(CCNc1ccc(F)cc1F)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H20F2N2O2/c23-17-6-11-21(20(24)14-17)25-13-12-22(27)26-18-7-9-19(10-8-18)28-15-16-4-2-1-3-5-16/h1-11,14,25H,12-13,15H2,(H,26,27)
InChIKeyCANGCSBKIJQHQQ-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.98
Rot. Bonds8

About 3-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide

3-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 109042006) has the molecular formula C22H20F2N2O2 and a molecular weight of 382.41 g/mol. Its IUPAC name is 3-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID109042006
Molecular FormulaC22H20F2N2O2
Molecular Weight382.41 g/mol
Exact Mass382.15
IUPAC Name3-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
SMILESO=C(CCNc1ccc(F)cc1F)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H20F2N2O2/c23-17-6-11-21(20(24)14-17)25-13-12-22(27)26-18-7-9-19(10-8-18)28-15-16-4-2-1-3-5-16/h1-11,14,25H,12-13,15H2,(H,26,27)
InChIKeyCANGCSBKIJQHQQ-UHFFFAOYSA-N
XLogP4.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 109010754
3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109037756
N-(2,4-difluorophenyl)-2-(4-phenylmethoxyanilino)acetamide
CID 37220850
N-(4-acetamidophenyl)-3-(2,4-difluoroanilino)propanamide
CID 109041216
1-(2,4-difluorophenyl)-3-(4-phenylmethoxyphenyl)thiourea
CID 19648747
3-(3-chloroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109038069
N-(4-acetylphenyl)-3-(4-phenylmethoxyanilino)propanamide
CID 109041002
1-(2,4-difluorophenyl)-3-[2-(4-phenylmethoxyphenyl)ethyl]urea
CID 141080201
3-(2,4-difluoroanilino)-N-(3-fluorophenyl)propanamide
CID 109042035
N-(4-phenylmethoxyphenyl)-3-(quinolin-8-ylamino)propanamide
CID 109042005
3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 109042013
3-(2-hydroxyethylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 143395384

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of 3-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide (CID 109042006) is 3-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for 3-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for 3-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide is O=C(CCNc1ccc(F)cc1F)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is CANGCSBKIJQHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O2/c23-17-6-11-21(20(24)14-17)25-13-12-22(27)26-18-7-9-19(10-8-18)28-15-16-4-2-1-3-5-16/h1-11,14,25H,12-13,15H2,(H,26,27).
What are the key properties of 3-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide?
3-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 382.41 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 109042006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).