N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide

C20H15FN2O3 — CID 30887113

IUPACN-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccccc1Nc1ccc(F)cc1
InChIInChI=1S/C20H15FN2O3/c21-13-5-7-14(8-6-13)22-17-4-2-1-3-16(17)20(24)23-15-9-10-18-19(11-15)26-12-25-18/h1-11,22H,12H2,(H,23,24)
InChIKeyXMDCZPBFNWTPRZ-UHFFFAOYSA-N
MW350.35 g/mol
LogP4.55
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide

N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide (PubChem CID 30887113) has the molecular formula C20H15FN2O3 and a molecular weight of 350.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide
PubChem CID30887113
Molecular FormulaC20H15FN2O3
Molecular Weight350.35 g/mol
Exact Mass350.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccccc1Nc1ccc(F)cc1
InChIInChI=1S/C20H15FN2O3/c21-13-5-7-14(8-6-13)22-17-4-2-1-3-16(17)20(24)23-15-9-10-18-19(11-15)26-12-25-18/h1-11,22H,12H2,(H,23,24)
InChIKeyXMDCZPBFNWTPRZ-UHFFFAOYSA-N
XLogP4.55
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2336815
N-(1,3-benzodioxol-5-yl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128499
2-(1,3-benzodioxol-5-ylamino)benzoic acid
CID 643226
N-(1,3-benzodioxol-5-yl)-2-[(2,2-diphenylacetyl)amino]benzamide
CID 2559897
N-(1,3-benzodioxol-5-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzamide
CID 17429171
N-(1,3-benzodioxol-5-yl)-2-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzamide
CID 6219773
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorobenzoyl)benzamide
CID 36653806
N-[4-(4-fluoroanilino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 112986861
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide
CID 62237289
N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497687
N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109268567
N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide
CID 1154201

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide (CID 30887113) is N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide is O=C(Nc1ccc2c(c1)OCO2)c1ccccc1Nc1ccc(F)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide?
The InChIKey is XMDCZPBFNWTPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3/c21-13-5-7-14(8-6-13)22-17-4-2-1-3-16(17)20(24)23-15-9-10-18-19(11-15)26-12-25-18/h1-11,22H,12H2,(H,23,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide?
N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide has a molecular weight of 350.35 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide is sourced from PubChem (CID 30887113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).