(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-[(4-fluorophenyl)methyl]propanamide

C18H19FN2O3 — CID 94599222

IUPAC(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-[(4-fluorophenyl)methyl]propanamide
SMILESC[C@@H](Nc1cccc2c1OCCO2)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3/c1-12(18(22)20-11-13-5-7-14(19)8-6-13)21-15-3-2-4-16-17(15)24-10-9-23-16/h2-8,12,21H,9-11H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeySFXCHFWRSMCIFP-GFCCVEGCSA-N
MW330.36 g/mol
LogP2.71
Rot. Bonds5

About (2R)-2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-[(4-fluorophenyl)methyl]propanamide

(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 94599222) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is (2R)-2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID94599222
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-[(4-fluorophenyl)methyl]propanamide
SMILESC[C@@H](Nc1cccc2c1OCCO2)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3/c1-12(18(22)20-11-13-5-7-14(19)8-6-13)21-15-3-2-4-16-17(15)24-10-9-23-16/h2-8,12,21H,9-11H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeySFXCHFWRSMCIFP-GFCCVEGCSA-N
XLogP2.71
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-[(4-fluorophenyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 60544080
(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
CID 94606450
N-butan-2-yl-2,3-dihydro-1,4-benzodioxin-5-amine
CID 115919038
N-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 25474927
N-[2-(4-fluorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 52772937
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(methylamino)propanamide
CID 55096613
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 60543221
N-[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)ethyl]-2-methylpropanamide
CID 43583637
(2R)-2-(5-acetamido-2-methoxyanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 35960984
(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoroaniline
CID 43583494
methyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)propanoate
CID 43723549

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of (2R)-2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-[(4-fluorophenyl)methyl]propanamide (CID 94599222) is (2R)-2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-[(4-fluorophenyl)methyl]propanamide is C[C@@H](Nc1cccc2c1OCCO2)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of (2R)-2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is SFXCHFWRSMCIFP-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-12(18(22)20-11-13-5-7-14(19)8-6-13)21-15-3-2-4-16-17(15)24-10-9-23-16/h2-8,12,21H,9-11H2,1H3,(H,20,22)/t12-/m1/s1.
What are the key properties of (2R)-2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-[(4-fluorophenyl)methyl]propanamide?
(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 330.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 94599222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).