N-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)propanamide

C17H19FN2O3 — CID 109037732

IUPACN-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCNc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O3/c1-22-14-7-8-16(23-2)15(11-14)20-17(21)9-10-19-13-5-3-12(18)4-6-13/h3-8,11,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyIFEVMSUUGBQKCH-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.28
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)propanamide

N-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)propanamide (PubChem CID 109037732) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)propanamide
PubChem CID109037732
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC NameN-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCNc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O3/c1-22-14-7-8-16(23-2)15(11-14)20-17(21)9-10-19-13-5-3-12(18)4-6-13/h3-8,11,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyIFEVMSUUGBQKCH-UHFFFAOYSA-N
XLogP3.28
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 109038680
N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 51159707
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
3-(1,3-benzodioxol-5-ylamino)-N-(2,5-dimethoxyphenyl)propanamide
CID 109040338
N-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034471
N-(5-chloro-2-methoxyphenyl)-3-(4-propan-2-yloxyanilino)propanamide
CID 109039089
N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2609676
N-(2,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022511
N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-2-methoxybenzamide
CID 28918895
3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 109038796
2-[4-(difluoromethoxy)anilino]-N-(2,5-dimethoxyphenyl)acetamide
CID 36585879
N-(4-fluorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109037688

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)propanamide (CID 109037732) is N-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)propanamide is COc1ccc(OC)c(NC(=O)CCNc2ccc(F)cc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)propanamide?
The InChIKey is IFEVMSUUGBQKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-22-14-7-8-16(23-2)15(11-14)20-17(21)9-10-19-13-5-3-12(18)4-6-13/h3-8,11,19H,9-10H2,1-2H3,(H,20,21).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)propanamide?
N-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)propanamide has a molecular weight of 318.35 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)propanamide is sourced from PubChem (CID 109037732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).