3-(4-acetamidoanilino)-N-(2-fluorophenyl)propanamide

C17H18FN3O2 — CID 109037500

IUPAC3-(4-acetamidoanilino)-N-(2-fluorophenyl)propanamide
SMILESCC(=O)Nc1ccc(NCCC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C17H18FN3O2/c1-12(22)20-14-8-6-13(7-9-14)19-11-10-17(23)21-16-5-3-2-4-15(16)18/h2-9,19H,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyHNKVHEBOFZWDFM-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.22
Rot. Bonds6

About 3-(4-acetamidoanilino)-N-(2-fluorophenyl)propanamide

3-(4-acetamidoanilino)-N-(2-fluorophenyl)propanamide (PubChem CID 109037500) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-(4-acetamidoanilino)-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-acetamidoanilino)-N-(2-fluorophenyl)propanamide
PubChem CID109037500
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name3-(4-acetamidoanilino)-N-(2-fluorophenyl)propanamide
SMILESCC(=O)Nc1ccc(NCCC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C17H18FN3O2/c1-12(22)20-14-8-6-13(7-9-14)19-11-10-17(23)21-16-5-3-2-4-15(16)18/h2-9,19H,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyHNKVHEBOFZWDFM-UHFFFAOYSA-N
XLogP3.22
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-acetamidoanilino)-N-(2-tert-butylphenyl)propanamide
CID 109037274
3-(2-fluoroanilino)-N-(4-methylphenyl)propanamide
CID 109034353
3-(4-acetamidoanilino)-N-(3-chloro-2-methylphenyl)propanamide
CID 109038281
N-[4-(diethylamino)phenyl]-3-(2-fluoroanilino)propanamide
CID 109037588
3-(4-acetamidoanilino)-N-(2,5-dichlorophenyl)propanamide
CID 109041273
N-(2-fluorophenyl)butanamide
CID 849021
N-(4-acetamidophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109041238
3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide
CID 109041254
N-(4-tert-butylphenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954690
N-(4-acetamidophenyl)-3-(2,4-difluoroanilino)propanamide
CID 109041216
N-(4-acetamidophenyl)-3-(4-ethylanilino)propanamide
CID 109036380
3-(2,4-dichloroanilino)-N-(2-fluorophenyl)propanamide
CID 109037533

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidoanilino)-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-(4-acetamidoanilino)-N-(2-fluorophenyl)propanamide (CID 109037500) is 3-(4-acetamidoanilino)-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-(4-acetamidoanilino)-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-(4-acetamidoanilino)-N-(2-fluorophenyl)propanamide is CC(=O)Nc1ccc(NCCC(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 3-(4-acetamidoanilino)-N-(2-fluorophenyl)propanamide?
The InChIKey is HNKVHEBOFZWDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-12(22)20-14-8-6-13(7-9-14)19-11-10-17(23)21-16-5-3-2-4-15(16)18/h2-9,19H,10-11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-(4-acetamidoanilino)-N-(2-fluorophenyl)propanamide?
3-(4-acetamidoanilino)-N-(2-fluorophenyl)propanamide has a molecular weight of 315.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidoanilino)-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 109037500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).