6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide

C14H14BrNO2 — CID 83030177

IUPAC6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide
SMILESC[C@@H](O)CNC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H14BrNO2/c1-9(17)8-16-14(18)12-3-2-11-7-13(15)5-4-10(11)6-12/h2-7,9,17H,8H2,1H3,(H,16,18)/t9-/m1/s1
InChIKeyVUOGBPIUXUCYBV-SECBINFHSA-N
MW308.18 g/mol
LogP2.71
Rot. Bonds3

About 6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide

6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide (PubChem CID 83030177) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide
PubChem CID83030177
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide
SMILESC[C@@H](O)CNC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H14BrNO2/c1-9(17)8-16-14(18)12-3-2-11-7-13(15)5-4-10(11)6-12/h2-7,9,17H,8H2,1H3,(H,16,18)/t9-/m1/s1
InChIKeyVUOGBPIUXUCYBV-SECBINFHSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide
CID 115354023
6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide
CID 113278451
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
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
3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide
CID 103909431
6-bromo-N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide
CID 115354549
4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107220998
4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030765
3-amino-4-bromo-N-(2-hydroxypropyl)benzamide
CID 61094213

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide (CID 83030177) is 6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide is C[C@@H](O)CNC(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide?
The InChIKey is VUOGBPIUXUCYBV-SECBINFHSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-9(17)8-16-14(18)12-3-2-11-7-13(15)5-4-10(11)6-12/h2-7,9,17H,8H2,1H3,(H,16,18)/t9-/m1/s1.
What are the key properties of 6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide?
6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide has a molecular weight of 308.18 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 83030177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).