N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)naphthalene-1-carboxamide

C19H14BrNO3 — CID 26903005

IUPACN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1cc2c(cc1Br)OCCO2)c1cccc2ccccc12
InChIInChI=1S/C19H14BrNO3/c20-15-10-17-18(24-9-8-23-17)11-16(15)21-19(22)14-7-3-5-12-4-1-2-6-13(12)14/h1-7,10-11H,8-9H2,(H,21,22)
InChIKeyWBSKHLPVVFCACS-UHFFFAOYSA-N
MW384.23 g/mol
LogP4.63
Rot. Bonds2

About N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)naphthalene-1-carboxamide

N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)naphthalene-1-carboxamide (PubChem CID 26903005) has the molecular formula C19H14BrNO3 and a molecular weight of 384.23 g/mol. Its IUPAC name is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)naphthalene-1-carboxamide
PubChem CID26903005
Molecular FormulaC19H14BrNO3
Molecular Weight384.23 g/mol
Exact Mass383.02
IUPAC NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1cc2c(cc1Br)OCCO2)c1cccc2ccccc12
InChIInChI=1S/C19H14BrNO3/c20-15-10-17-18(24-9-8-23-17)11-16(15)21-19(22)14-7-3-5-12-4-1-2-6-13(12)14/h1-7,10-11H,8-9H2,(H,21,22)
InChIKeyWBSKHLPVVFCACS-UHFFFAOYSA-N
XLogP4.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide
CID 1154201
N-(2,3-dihydro-1-benzofuran-5-yl)naphthalene-1-carboxamide
CID 38558744
2-bromo-N-[7-(2-iodobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
CID 5303872
5-bromo-2-(naphthalene-1-carbonylamino)benzoic acid
CID 10090515
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 30729033
3-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide
CID 47233334
N-(2-iodophenyl)naphthalene-1-carboxamide
CID 11660752
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18081378
N-(2-bromo-3-pyridinyl)naphthalene-1-carboxamide
CID 103819240
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-diphenylacetamide
CID 2567069
N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 43614630
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide
CID 55757903

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)naphthalene-1-carboxamide (CID 26903005) is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)naphthalene-1-carboxamide is O=C(Nc1cc2c(cc1Br)OCCO2)c1cccc2ccccc12.
What is the InChIKey of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)naphthalene-1-carboxamide?
The InChIKey is WBSKHLPVVFCACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrNO3/c20-15-10-17-18(24-9-8-23-17)11-16(15)21-19(22)14-7-3-5-12-4-1-2-6-13(12)14/h1-7,10-11H,8-9H2,(H,21,22).
What are the key properties of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)naphthalene-1-carboxamide?
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)naphthalene-1-carboxamide has a molecular weight of 384.23 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 26903005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).