N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-(4-fluorophenyl)butanamide

C19H19FN2O4 — CID 110619456

IUPACN-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-(4-fluorophenyl)butanamide
SMILESCC(CC(=O)NCC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O4/c1-12(13-2-4-14(20)5-3-13)8-18(23)21-10-19(24)22-15-6-7-16-17(9-15)26-11-25-16/h2-7,9,12H,8,10-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyCODPSQPRRADKFR-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.80
Rot. Bonds6

About N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-(4-fluorophenyl)butanamide

N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-(4-fluorophenyl)butanamide (PubChem CID 110619456) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-(4-fluorophenyl)butanamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-(4-fluorophenyl)butanamide
PubChem CID110619456
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC NameN-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-(4-fluorophenyl)butanamide
SMILESCC(CC(=O)NCC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O4/c1-12(13-2-4-14(20)5-3-13)8-18(23)21-10-19(24)22-15-6-7-16-17(9-15)26-11-25-16/h2-7,9,12H,8,10-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyCODPSQPRRADKFR-UHFFFAOYSA-N
XLogP2.80
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-3-(4-fluorophenyl)butanamide
CID 110619466
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide
CID 110606301
N-(1,3-benzodioxol-5-yl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376473
N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylcarbamoylamino)acetamide
CID 110606306
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylbutanamide
CID 2948413
(3S)-3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrrol-1-yl)-N-(4-fluorophenyl)propanamide
CID 1480764
N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetamide
CID 2560584
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110606294
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-methylbutanamide
CID 5205104
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110615514
N-(1,3-benzodioxol-5-yl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]acetamide
CID 18137507
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-methyl-4-(4-methylphenyl)pentanamide
CID 110407391

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-(4-fluorophenyl)butanamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-(4-fluorophenyl)butanamide (CID 110619456) is N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-(4-fluorophenyl)butanamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-(4-fluorophenyl)butanamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-(4-fluorophenyl)butanamide is CC(CC(=O)NCC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-(4-fluorophenyl)butanamide?
The InChIKey is CODPSQPRRADKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c1-12(13-2-4-14(20)5-3-13)8-18(23)21-10-19(24)22-15-6-7-16-17(9-15)26-11-25-16/h2-7,9,12H,8,10-11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-(4-fluorophenyl)butanamide?
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-(4-fluorophenyl)butanamide has a molecular weight of 358.37 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-(4-fluorophenyl)butanamide is sourced from PubChem (CID 110619456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).