2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide

C15H23FN2O — CID 43113139

IUPAC2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Nc1ccc(C)c(F)c1
InChIInChI=1S/C15H23FN2O/c1-5-12(6-2)18-15(19)11(4)17-13-8-7-10(3)14(16)9-13/h7-9,11-12,17H,5-6H2,1-4H3,(H,18,19)
InChIKeyDZSBOTQDWUDBMI-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.24
Rot. Bonds6

About 2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide

2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide (PubChem CID 43113139) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide
PubChem CID43113139
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Nc1ccc(C)c(F)c1
InChIInChI=1S/C15H23FN2O/c1-5-12(6-2)18-15(19)11(4)17-13-8-7-10(3)14(16)9-13/h7-9,11-12,17H,5-6H2,1-4H3,(H,18,19)
InChIKeyDZSBOTQDWUDBMI-UHFFFAOYSA-N
XLogP3.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-4-methylanilino)-N-(4-methylphenyl)propanamide
CID 60638752
N-butan-2-yl-2-(3,4-difluoroanilino)propanamide
CID 43116673
2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide
CID 43087306
2-(4-bromo-3,5-dimethylanilino)-N-pentan-3-ylpropanamide
CID 107573469
2-(5-chloro-2-methylanilino)-N-pentan-3-ylpropanamide
CID 43113582
2-(3-methylsulfanylanilino)-N-pentan-3-ylpropanamide
CID 43112908
2-(3,4-dicyanoanilino)-N-pentan-3-ylpropanamide
CID 107789169
N-pentan-3-yl-2-(2,3,5,6-tetrafluoroanilino)propanamide
CID 107644238
2-(4-acetamidoanilino)-N-(3-fluoro-4-methylphenyl)propanamide
CID 17396649
2-(2,5-difluoroanilino)-N-pentan-3-ylpropanamide
CID 43113769
N-butan-2-yl-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
CID 60721218
2-(3-fluoro-4-methylanilino)-N-naphthalen-2-ylpropanamide
CID 78708039

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide?
The IUPAC name of 2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide (CID 43113139) is 2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)Nc1ccc(C)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide?
The InChIKey is DZSBOTQDWUDBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-5-12(6-2)18-15(19)11(4)17-13-8-7-10(3)14(16)9-13/h7-9,11-12,17H,5-6H2,1-4H3,(H,18,19).
What are the key properties of 2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide?
2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide has a molecular weight of 266.36 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 43113139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).