6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide

C15H16BrNO2 — CID 113278451

IUPAC6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide
SMILESCC(CO)CNC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H16BrNO2/c1-10(9-18)8-17-15(19)13-3-2-12-7-14(16)5-4-11(12)6-13/h2-7,10,18H,8-9H2,1H3,(H,17,19)
InChIKeyAVBYGSQIVYRPGP-UHFFFAOYSA-N
MW322.20 g/mol
LogP2.96
Rot. Bonds4

About 6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide

6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide (PubChem CID 113278451) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide
PubChem CID113278451
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide
SMILESCC(CO)CNC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H16BrNO2/c1-10(9-18)8-17-15(19)13-3-2-12-7-14(16)5-4-11(12)6-13/h2-7,10,18H,8-9H2,1H3,(H,17,19)
InChIKeyAVBYGSQIVYRPGP-UHFFFAOYSA-N
XLogP2.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-(3-bromo-2-methylpropyl)naphthalene-2-carboxamide
CID 113292807
6-bromo-N-[2-methyl-3-(methylamino)propyl]naphthalene-2-carboxamide
CID 115354259
6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide
CID 83030177
6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide
CID 115354023
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-6-bromonaphthalene-2-carboxamide
CID 115353870
methyl 2-bromo-3-[(6-bromonaphthalene-2-carbonyl)amino]propanoate
CID 103492380
6-bromo-N-(2-bromo-3-methoxypropyl)naphthalene-2-carboxamide
CID 115354553
6-bromo-N-(1,3-dihydroxypropan-2-yl)naphthalene-2-carboxamide
CID 115354026
6-bromo-N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide
CID 115354549
6-bromo-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide
CID 115283099
N-(3-hydroxy-2-methylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 65037202
3-[(6-bromonaphthalene-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 115353673

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide (CID 113278451) is 6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide is CC(CO)CNC(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide?
The InChIKey is AVBYGSQIVYRPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-10(9-18)8-17-15(19)13-3-2-12-7-14(16)5-4-11(12)6-13/h2-7,10,18H,8-9H2,1H3,(H,17,19).
What are the key properties of 6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide?
6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide has a molecular weight of 322.20 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide is sourced from PubChem (CID 113278451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).