N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C19H18FNO3 — CID 97256231

IUPACN-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESO=C(N[C@@H]1CCCc2ccc(F)cc21)c1cccc2c1OCCO2
InChIInChI=1S/C19H18FNO3/c20-13-8-7-12-3-1-5-16(15(12)11-13)21-19(22)14-4-2-6-17-18(14)24-10-9-23-17/h2,4,6-8,11,16H,1,3,5,9-10H2,(H,21,22)/t16-/m1/s1
InChIKeyCDRPLGCBVQQIKR-MRXNPFEDSA-N
MW327.36 g/mol
LogP3.40
Rot. Bonds2

About N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 97256231) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID97256231
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC NameN-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESO=C(N[C@@H]1CCCc2ccc(F)cc21)c1cccc2c1OCCO2
InChIInChI=1S/C19H18FNO3/c20-13-8-7-12-3-1-5-16(15(12)11-13)21-19(22)14-4-2-6-17-18(14)24-10-9-23-17/h2,4,6-8,11,16H,1,3,5,9-10H2,(H,21,22)/t16-/m1/s1
InChIKeyCDRPLGCBVQQIKR-MRXNPFEDSA-N
XLogP3.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 97256231) is N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide is O=C(N[C@@H]1CCCc2ccc(F)cc21)c1cccc2c1OCCO2.
What is the InChIKey of N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is CDRPLGCBVQQIKR-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18FNO3/c20-13-8-7-12-3-1-5-16(15(12)11-13)21-19(22)14-4-2-6-17-18(14)24-10-9-23-17/h2,4,6-8,11,16H,1,3,5,9-10H2,(H,21,22)/t16-/m1/s1.
What are the key properties of N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 97256231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).