6-bromo-N-[cyano(cyclopropyl)methyl]naphthalene-2-carboxamide

C16H13BrN2O — CID 115283322

IUPAC6-bromo-N-[cyano(cyclopropyl)methyl]naphthalene-2-carboxamide
SMILESN#CC(NC(=O)c1ccc2cc(Br)ccc2c1)C1CC1
InChIInChI=1S/C16H13BrN2O/c17-14-6-5-11-7-13(4-3-12(11)8-14)16(20)19-15(9-18)10-1-2-10/h3-8,10,15H,1-2H2,(H,19,20)
InChIKeyRFVTVPSYNPSQPT-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.63
Rot. Bonds3

About 6-bromo-N-[cyano(cyclopropyl)methyl]naphthalene-2-carboxamide

6-bromo-N-[cyano(cyclopropyl)methyl]naphthalene-2-carboxamide (PubChem CID 115283322) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 6-bromo-N-[cyano(cyclopropyl)methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[cyano(cyclopropyl)methyl]naphthalene-2-carboxamide
PubChem CID115283322
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name6-bromo-N-[cyano(cyclopropyl)methyl]naphthalene-2-carboxamide
SMILESN#CC(NC(=O)c1ccc2cc(Br)ccc2c1)C1CC1
InChIInChI=1S/C16H13BrN2O/c17-14-6-5-11-7-13(4-3-12(11)8-14)16(20)19-15(9-18)10-1-2-10/h3-8,10,15H,1-2H2,(H,19,20)
InChIKeyRFVTVPSYNPSQPT-UHFFFAOYSA-N
XLogP3.63
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[cyano(cyclopropyl)methyl]naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-[cyano(cyclopropyl)methyl]naphthalene-2-carboxamide (CID 115283322) is 6-bromo-N-[cyano(cyclopropyl)methyl]naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[cyano(cyclopropyl)methyl]naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-[cyano(cyclopropyl)methyl]naphthalene-2-carboxamide is N#CC(NC(=O)c1ccc2cc(Br)ccc2c1)C1CC1.
What is the InChIKey of 6-bromo-N-[cyano(cyclopropyl)methyl]naphthalene-2-carboxamide?
The InChIKey is RFVTVPSYNPSQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c17-14-6-5-11-7-13(4-3-12(11)8-14)16(20)19-15(9-18)10-1-2-10/h3-8,10,15H,1-2H2,(H,19,20).
What are the key properties of 6-bromo-N-[cyano(cyclopropyl)methyl]naphthalene-2-carboxamide?
6-bromo-N-[cyano(cyclopropyl)methyl]naphthalene-2-carboxamide has a molecular weight of 329.20 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[cyano(cyclopropyl)methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 115283322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).