3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide

C17H17F2N3O2 — CID 109041188

IUPAC3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide
SMILESCC(=O)Nc1cccc(NCCC(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H17F2N3O2/c1-11(23)21-13-4-2-3-12(9-13)20-8-7-17(24)22-14-5-6-15(18)16(19)10-14/h2-6,9-10,20H,7-8H2,1H3,(H,21,23)(H,22,24)
InChIKeyGXSVMUDDFZHOQF-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.36
Rot. Bonds6

About 3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide

3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide (PubChem CID 109041188) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is 3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide
PubChem CID109041188
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide
SMILESCC(=O)Nc1cccc(NCCC(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H17F2N3O2/c1-11(23)21-13-4-2-3-12(9-13)20-8-7-17(24)22-14-5-6-15(18)16(19)10-14/h2-6,9-10,20H,7-8H2,1H3,(H,21,23)(H,22,24)
InChIKeyGXSVMUDDFZHOQF-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)-3-(3,4-difluoroanilino)propanamide
CID 109041238
3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide
CID 109038130
3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide
CID 109034228
3-(3-bromoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109042183
3-(3-acetamidoanilino)-N-(2,6-difluorophenyl)propanamide
CID 109041187
N-(3-acetamidophenyl)-3-(2,3,4-trifluoroanilino)propanamide
CID 109041136
N-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109042632
3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide
CID 109041254
N-(3-acetamidophenyl)-3-(3-bromo-4-methylanilino)propanamide
CID 109039324
3-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109041146
N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide
CID 109038816
3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040581

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide?
The IUPAC name of 3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide (CID 109041188) is 3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide?
The canonical SMILES for 3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide is CC(=O)Nc1cccc(NCCC(=O)Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of 3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide?
The InChIKey is GXSVMUDDFZHOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c1-11(23)21-13-4-2-3-12(9-13)20-8-7-17(24)22-14-5-6-15(18)16(19)10-14/h2-6,9-10,20H,7-8H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide?
3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)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 3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 109041188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).