2-(2-fluoro-5-methylanilino)-N-(3-methoxypropyl)propanamide

C14H21FN2O2 — CID 43122831

IUPAC2-(2-fluoro-5-methylanilino)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Nc1cc(C)ccc1F
InChIInChI=1S/C14H21FN2O2/c1-10-5-6-12(15)13(9-10)17-11(2)14(18)16-7-4-8-19-3/h5-6,9,11,17H,4,7-8H2,1-3H3,(H,16,18)
InChIKeyAODUXWXCJKVAMM-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.09
Rot. Bonds7

About 2-(2-fluoro-5-methylanilino)-N-(3-methoxypropyl)propanamide

2-(2-fluoro-5-methylanilino)-N-(3-methoxypropyl)propanamide (PubChem CID 43122831) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylanilino)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(2-fluoro-5-methylanilino)-N-(3-methoxypropyl)propanamide
PubChem CID43122831
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-(2-fluoro-5-methylanilino)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Nc1cc(C)ccc1F
InChIInChI=1S/C14H21FN2O2/c1-10-5-6-12(15)13(9-10)17-11(2)14(18)16-7-4-8-19-3/h5-6,9,11,17H,4,7-8H2,1-3H3,(H,16,18)
InChIKeyAODUXWXCJKVAMM-UHFFFAOYSA-N
XLogP2.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4-fluoroanilino)-N-(3-methoxypropyl)propanamide
CID 43119467
2-(2-fluoro-5-methylanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088873
2-(2,4-dibromoanilino)-N-(3-methoxypropyl)propanamide
CID 61473681
2-amino-N-(2-fluoro-5-methylphenyl)-5-methoxypentanamide
CID 81081841
2-(3,5-dichloro-4-fluoroanilino)-N-(3-methoxypropyl)propanamide
CID 103579856
2-(2-fluoro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 43122827
2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)propanamide
CID 55132443
1-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea
CID 47193946
2-(2-carbamothioyl-4-methylanilino)-N-(2-methoxyethyl)propanamide
CID 107929244
2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide
CID 43087306
2-(4-bromo-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
CID 107788878
1-(2-fluoro-5-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110020612

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylanilino)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-(2-fluoro-5-methylanilino)-N-(3-methoxypropyl)propanamide (CID 43122831) is 2-(2-fluoro-5-methylanilino)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(2-fluoro-5-methylanilino)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-(2-fluoro-5-methylanilino)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)Nc1cc(C)ccc1F.
What is the InChIKey of 2-(2-fluoro-5-methylanilino)-N-(3-methoxypropyl)propanamide?
The InChIKey is AODUXWXCJKVAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-10-5-6-12(15)13(9-10)17-11(2)14(18)16-7-4-8-19-3/h5-6,9,11,17H,4,7-8H2,1-3H3,(H,16,18).
What are the key properties of 2-(2-fluoro-5-methylanilino)-N-(3-methoxypropyl)propanamide?
2-(2-fluoro-5-methylanilino)-N-(3-methoxypropyl)propanamide has a molecular weight of 268.33 g/mol, XLogP of 2.09, 7 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-(3-methoxypropyl)propanamide is sourced from PubChem (CID 43122831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).