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

C16H17FN2O — CID 2510713

IUPACN-(4-fluorophenyl)-3-(2-methylanilino)propanamide
SMILESCc1ccccc1NCCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O/c1-12-4-2-3-5-15(12)18-11-10-16(20)19-14-8-6-13(17)7-9-14/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyLKVYJJVJHODPIF-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.57
Rot. Bonds5

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

N-(4-fluorophenyl)-3-(2-methylanilino)propanamide (PubChem CID 2510713) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(2-methylanilino)propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(2-methylanilino)propanamide
PubChem CID2510713
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-(4-fluorophenyl)-3-(2-methylanilino)propanamide
SMILESCc1ccccc1NCCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O/c1-12-4-2-3-5-15(12)18-11-10-16(20)19-14-8-6-13(17)7-9-14/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyLKVYJJVJHODPIF-UHFFFAOYSA-N
XLogP3.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(2-methylanilino)propanamide?
The IUPAC name of N-(4-fluorophenyl)-3-(2-methylanilino)propanamide (CID 2510713) is N-(4-fluorophenyl)-3-(2-methylanilino)propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(2-methylanilino)propanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(2-methylanilino)propanamide is Cc1ccccc1NCCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-(2-methylanilino)propanamide?
The InChIKey is LKVYJJVJHODPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-12-4-2-3-5-15(12)18-11-10-16(20)19-14-8-6-13(17)7-9-14/h2-9,18H,10-11H2,1H3,(H,19,20).
What are the key properties of N-(4-fluorophenyl)-3-(2-methylanilino)propanamide?
N-(4-fluorophenyl)-3-(2-methylanilino)propanamide has a molecular weight of 272.32 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(2-methylanilino)propanamide is sourced from PubChem (CID 2510713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).