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

C17H17F2N3O2 — CID 109041216

IUPACN-(4-acetamidophenyl)-3-(2,4-difluoroanilino)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCNc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H17F2N3O2/c1-11(23)21-13-3-5-14(6-4-13)22-17(24)8-9-20-16-7-2-12(18)10-15(16)19/h2-7,10,20H,8-9H2,1H3,(H,21,23)(H,22,24)
InChIKeyUQHVGDVTJKNMAX-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.36
Rot. Bonds6

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

N-(4-acetamidophenyl)-3-(2,4-difluoroanilino)propanamide (PubChem CID 109041216) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-(2,4-difluoroanilino)propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-(2,4-difluoroanilino)propanamide
PubChem CID109041216
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC NameN-(4-acetamidophenyl)-3-(2,4-difluoroanilino)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCNc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H17F2N3O2/c1-11(23)21-13-3-5-14(6-4-13)22-17(24)8-9-20-16-7-2-12(18)10-15(16)19/h2-7,10,20H,8-9H2,1H3,(H,21,23)(H,22,24)
InChIKeyUQHVGDVTJKNMAX-UHFFFAOYSA-N
XLogP3.36
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109010043
3-(2,4-difluoroanilino)-N-(3-fluorophenyl)propanamide
CID 109042035
N-(4-acetamidophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109041238
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide
CID 670678
3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide
CID 109041254
3-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109042006
3-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)propanamide
CID 109041734
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,4-difluoroanilino)propanamide
CID 109042490
N-(2,4-difluorophenyl)-3-(3,5-dimethylanilino)propanamide
CID 109035743
N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide
CID 109038816
N-(2-bromophenyl)-3-(2,4-difluoroanilino)propanamide
CID 109042099
N-(3-acetamidophenyl)-3-(2,3,4-trifluoroanilino)propanamide
CID 109041136

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-(2,4-difluoroanilino)propanamide?
The IUPAC name of N-(4-acetamidophenyl)-3-(2,4-difluoroanilino)propanamide (CID 109041216) is N-(4-acetamidophenyl)-3-(2,4-difluoroanilino)propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-(2,4-difluoroanilino)propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-(2,4-difluoroanilino)propanamide is CC(=O)Nc1ccc(NC(=O)CCNc2ccc(F)cc2F)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-(2,4-difluoroanilino)propanamide?
The InChIKey is UQHVGDVTJKNMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c1-11(23)21-13-3-5-14(6-4-13)22-17(24)8-9-20-16-7-2-12(18)10-15(16)19/h2-7,10,20H,8-9H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-acetamidophenyl)-3-(2,4-difluoroanilino)propanamide?
N-(4-acetamidophenyl)-3-(2,4-difluoroanilino)propanamide has a molecular weight of 333.34 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-(2,4-difluoroanilino)propanamide is sourced from PubChem (CID 109041216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).