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

C17H17F2N3O2 — CID 109041238

IUPACN-(4-acetamidophenyl)-3-(3,4-difluoroanilino)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCNc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H17F2N3O2/c1-11(23)21-12-2-4-13(5-3-12)22-17(24)8-9-20-14-6-7-15(18)16(19)10-14/h2-7,10,20H,8-9H2,1H3,(H,21,23)(H,22,24)
InChIKeyRWKNDMSEUVQUBW-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.36
Rot. Bonds6

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

N-(4-acetamidophenyl)-3-(3,4-difluoroanilino)propanamide (PubChem CID 109041238) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-(3,4-difluoroanilino)propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-(3,4-difluoroanilino)propanamide
PubChem CID109041238
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC NameN-(4-acetamidophenyl)-3-(3,4-difluoroanilino)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCNc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H17F2N3O2/c1-11(23)21-12-2-4-13(5-3-12)22-17(24)8-9-20-14-6-7-15(18)16(19)10-14/h2-7,10,20H,8-9H2,1H3,(H,21,23)(H,22,24)
InChIKeyRWKNDMSEUVQUBW-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

3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109041188
N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide
CID 109038816
3-(3,4-difluoroanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 109036899
N-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109042632
3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide
CID 109038130
3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide
CID 109034228
3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040581
N-(4-acetamidophenyl)-3-(2,4-difluoroanilino)propanamide
CID 109041216
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
3-(3-bromoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109042183
3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide
CID 109041254
N-(4-acetamidophenyl)-3-(4-ethylanilino)propanamide
CID 109036380

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-(3,4-difluoroanilino)propanamide?
The IUPAC name of N-(4-acetamidophenyl)-3-(3,4-difluoroanilino)propanamide (CID 109041238) is N-(4-acetamidophenyl)-3-(3,4-difluoroanilino)propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-(3,4-difluoroanilino)propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-(3,4-difluoroanilino)propanamide is CC(=O)Nc1ccc(NC(=O)CCNc2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-(3,4-difluoroanilino)propanamide?
The InChIKey is RWKNDMSEUVQUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c1-11(23)21-12-2-4-13(5-3-12)22-17(24)8-9-20-14-6-7-15(18)16(19)10-14/h2-7,10,20H,8-9H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-acetamidophenyl)-3-(3,4-difluoroanilino)propanamide?
N-(4-acetamidophenyl)-3-(3,4-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-(3,4-difluoroanilino)propanamide is sourced from PubChem (CID 109041238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).