2-(2-fluoro-5-methylanilino)-N-(furan-2-ylmethyl)propanamide

C15H17FN2O2 — CID 43088873

IUPAC2-(2-fluoro-5-methylanilino)-N-(furan-2-ylmethyl)propanamide
SMILESCc1ccc(F)c(NC(C)C(=O)NCc2ccco2)c1
InChIInChI=1S/C15H17FN2O2/c1-10-5-6-13(16)14(8-10)18-11(2)15(19)17-9-12-4-3-7-20-12/h3-8,11,18H,9H2,1-2H3,(H,17,19)
InChIKeyKVUBTMSHBJLDNK-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.84
Rot. Bonds5

About 2-(2-fluoro-5-methylanilino)-N-(furan-2-ylmethyl)propanamide

2-(2-fluoro-5-methylanilino)-N-(furan-2-ylmethyl)propanamide (PubChem CID 43088873) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylanilino)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(2-fluoro-5-methylanilino)-N-(furan-2-ylmethyl)propanamide
PubChem CID43088873
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-(2-fluoro-5-methylanilino)-N-(furan-2-ylmethyl)propanamide
SMILESCc1ccc(F)c(NC(C)C(=O)NCc2ccco2)c1
InChIInChI=1S/C15H17FN2O2/c1-10-5-6-13(16)14(8-10)18-11(2)15(19)17-9-12-4-3-7-20-12/h3-8,11,18H,9H2,1-2H3,(H,17,19)
InChIKeyKVUBTMSHBJLDNK-UHFFFAOYSA-N
XLogP2.84
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088644
2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088700
2-(4-chloro-3-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 61470316
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43084593
2-(2-fluoro-5-methylanilino)-N-(3-methoxypropyl)propanamide
CID 43122831
N-(furan-2-ylmethyl)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 119129013
2-(3,5-dichloro-4-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 107573921
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
5-chloro-2-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
CID 94811176
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 3262204
(2R)-2-[3-(2,4-dimethylphenyl)propanoylamino]-N-(furan-2-ylmethyl)propanamide
CID 94812450
2-(2-aminoethylamino)-N-(furan-2-ylmethyl)propanamide
CID 62139964

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylanilino)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-(2-fluoro-5-methylanilino)-N-(furan-2-ylmethyl)propanamide (CID 43088873) is 2-(2-fluoro-5-methylanilino)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(2-fluoro-5-methylanilino)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(2-fluoro-5-methylanilino)-N-(furan-2-ylmethyl)propanamide is Cc1ccc(F)c(NC(C)C(=O)NCc2ccco2)c1.
What is the InChIKey of 2-(2-fluoro-5-methylanilino)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is KVUBTMSHBJLDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-10-5-6-13(16)14(8-10)18-11(2)15(19)17-9-12-4-3-7-20-12/h3-8,11,18H,9H2,1-2H3,(H,17,19).
What are the key properties of 2-(2-fluoro-5-methylanilino)-N-(furan-2-ylmethyl)propanamide?
2-(2-fluoro-5-methylanilino)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 276.31 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylanilino)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 43088873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).