N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide

C18H13NO3 — CID 1154201

IUPACN-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cccc2ccccc12
InChIInChI=1S/C18H13NO3/c20-18(15-7-3-5-12-4-1-2-6-14(12)15)19-13-8-9-16-17(10-13)22-11-21-16/h1-10H,11H2,(H,19,20)
InChIKeyVSYVHABCFSYHNP-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.82
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide

N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide (PubChem CID 1154201) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide
PubChem CID1154201
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC NameN-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cccc2ccccc12
InChIInChI=1S/C18H13NO3/c20-18(15-7-3-5-12-4-1-2-6-14(12)15)19-13-8-9-16-17(10-13)22-11-21-16/h1-10H,11H2,(H,19,20)
InChIKeyVSYVHABCFSYHNP-UHFFFAOYSA-N
XLogP3.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-yl)naphthalene-1-carboxamide
CID 38558744
N-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide
CID 82786917
N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide
CID 30887113
N-(1,3-benzodioxol-5-yl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
CID 9457994
N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 2649687
N-(1,3-benzodioxol-5-yl)quinoxaline-5-carboxamide
CID 110701467
N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide
CID 959403
N-(1,3-benzodioxol-5-yl)-2-[(2,2-diphenylacetyl)amino]benzamide
CID 2559897
N-(1,3-benzodioxol-5-yl)-8-chloro-2-oxochromene-3-carboxamide
CID 100794837
N-(1,3-benzodioxol-5-yl)-8-methyl-2-oxochromene-3-carboxamide
CID 100794204
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]naphthalene-1-carboxamide
CID 121132420
8-[[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 22785159

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide (CID 1154201) is N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cccc2ccccc12.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide?
The InChIKey is VSYVHABCFSYHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c20-18(15-7-3-5-12-4-1-2-6-14(12)15)19-13-8-9-16-17(10-13)22-11-21-16/h1-10H,11H2,(H,19,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide?
N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 1154201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).