N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide

C18H13NO3 — CID 959403

IUPACN-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H13NO3/c20-18(14-6-8-16-17(10-14)22-11-21-16)19-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11H2,(H,19,20)
InChIKeyHCMVZOSMUOEOKA-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.82
Rot. Bonds2

About N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide

N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide (PubChem CID 959403) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide
PubChem CID959403
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC NameN-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H13NO3/c20-18(14-6-8-16-17(10-14)22-11-21-16)19-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11H2,(H,19,20)
InChIKeyHCMVZOSMUOEOKA-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-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 21168462
N-[4-[(3-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 1092870
N-(1,3-benzodioxol-5-yl)-6-methanehydrazonoylnaphthalene-2-carboxamide
CID 70058552
N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 777218
5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxybenzoic acid
CID 16776296
N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 16619123
N-(3-amino-4-chlorophenyl)-1,3-benzodioxole-5-carboxamide
CID 16775406
N-[3-(2-methylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 969062
N-[4-(4-fluoroanilino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 112986861
N-[3-(propanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 647324
N-(2,1,3-benzothiadiazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 773424

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide (CID 959403) is N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc2ccccc2c1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide?
The InChIKey is HCMVZOSMUOEOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c20-18(14-6-8-16-17(10-14)22-11-21-16)19-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11H2,(H,19,20).
What are the key properties of N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide?
N-naphthalen-2-yl-1,3-benzodioxole-5-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-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 959403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).