6-bromo-N-(1,3-dihydroxypropan-2-yl)naphthalene-2-carboxamide

C14H14BrNO3 — CID 115354026

IUPAC6-bromo-N-(1,3-dihydroxypropan-2-yl)naphthalene-2-carboxamide
SMILESO=C(NC(CO)CO)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H14BrNO3/c15-12-4-3-9-5-11(2-1-10(9)6-12)14(19)16-13(7-17)8-18/h1-6,13,17-18H,7-8H2,(H,16,19)
InChIKeyZPQGCLVTHVFUKU-UHFFFAOYSA-N
MW324.17 g/mol
LogP1.69
Rot. Bonds4

About 6-bromo-N-(1,3-dihydroxypropan-2-yl)naphthalene-2-carboxamide

6-bromo-N-(1,3-dihydroxypropan-2-yl)naphthalene-2-carboxamide (PubChem CID 115354026) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is 6-bromo-N-(1,3-dihydroxypropan-2-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(1,3-dihydroxypropan-2-yl)naphthalene-2-carboxamide
PubChem CID115354026
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name6-bromo-N-(1,3-dihydroxypropan-2-yl)naphthalene-2-carboxamide
SMILESO=C(NC(CO)CO)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H14BrNO3/c15-12-4-3-9-5-11(2-1-10(9)6-12)14(19)16-13(7-17)8-18/h1-6,13,17-18H,7-8H2,(H,16,19)
InChIKeyZPQGCLVTHVFUKU-UHFFFAOYSA-N
XLogP1.69
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 115353635
6-bromo-N-hex-5-yn-3-ylnaphthalene-2-carboxamide
CID 115749088
N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide
CID 104877086
6-bromo-N-(4-bromo-1-methoxybutan-2-yl)naphthalene-2-carboxamide
CID 106156588
6-bromo-N-(3-ethylpentan-2-yl)naphthalene-2-carboxamide
CID 115354010
6-bromo-N-(3-oxopentan-2-yl)naphthalene-2-carboxamide
CID 115353882
6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide
CID 113278451
(2R)-2-[(6-bromonaphthalene-2-carbonyl)amino]butanoic acid
CID 115353671
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide
CID 101341857
6-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]naphthalene-2-carboxamide
CID 115283084
6-bromo-N-[1-(hydroxymethyl)cyclopropyl]naphthalene-2-carboxamide
CID 113344700
2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 115353629

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1,3-dihydroxypropan-2-yl)naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-(1,3-dihydroxypropan-2-yl)naphthalene-2-carboxamide (CID 115354026) is 6-bromo-N-(1,3-dihydroxypropan-2-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(1,3-dihydroxypropan-2-yl)naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-(1,3-dihydroxypropan-2-yl)naphthalene-2-carboxamide is O=C(NC(CO)CO)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-(1,3-dihydroxypropan-2-yl)naphthalene-2-carboxamide?
The InChIKey is ZPQGCLVTHVFUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c15-12-4-3-9-5-11(2-1-10(9)6-12)14(19)16-13(7-17)8-18/h1-6,13,17-18H,7-8H2,(H,16,19).
What are the key properties of 6-bromo-N-(1,3-dihydroxypropan-2-yl)naphthalene-2-carboxamide?
6-bromo-N-(1,3-dihydroxypropan-2-yl)naphthalene-2-carboxamide has a molecular weight of 324.17 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1,3-dihydroxypropan-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 115354026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).