N-acetyl-6-bromonaphthalene-2-carboxamide

C13H10BrNO2 — CID 115353964

IUPACN-acetyl-6-bromonaphthalene-2-carboxamide
SMILESCC(=O)NC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C13H10BrNO2/c1-8(16)15-13(17)11-3-2-10-7-12(14)5-4-9(10)6-11/h2-7H,1H3,(H,15,16,17)
InChIKeyDAGSOWZDFDJJOS-UHFFFAOYSA-N
MW292.13 g/mol
LogP2.88
Rot. Bonds1

About N-acetyl-6-bromonaphthalene-2-carboxamide

N-acetyl-6-bromonaphthalene-2-carboxamide (PubChem CID 115353964) has the molecular formula C13H10BrNO2 and a molecular weight of 292.13 g/mol. Its IUPAC name is N-acetyl-6-bromonaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-acetyl-6-bromonaphthalene-2-carboxamide
PubChem CID115353964
Molecular FormulaC13H10BrNO2
Molecular Weight292.13 g/mol
Exact Mass290.99
IUPAC NameN-acetyl-6-bromonaphthalene-2-carboxamide
SMILESCC(=O)NC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C13H10BrNO2/c1-8(16)15-13(17)11-3-2-10-7-12(14)5-4-9(10)6-11/h2-7H,1H3,(H,15,16,17)
InChIKeyDAGSOWZDFDJJOS-UHFFFAOYSA-N
XLogP2.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-carbamoylnaphthalene-2-carboxamide
CID 115354574
1-(7-bromonaphthalen-2-yl)ethanone
CID 68758171
6-bromo-N-(2-methylcyclopropyl)naphthalene-2-carboxamide
CID 113278363
6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide
CID 83030177
[(6-bromonaphthalene-2-carbonyl)amino]thiourea
CID 113292814
6-bromo-N-(1,3-dihydroxypropan-2-yl)naphthalene-2-carboxamide
CID 115354026
6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide
CID 115354023
N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide
CID 104877086
1-(6-bromonaphthalen-2-yl)-2-methylpropan-1-one
CID 114962080
6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide
CID 113278451
6-bromo-N-(3-bromo-2-methylpropyl)naphthalene-2-carboxamide
CID 113292807
2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 115353629

Frequently Asked Questions

What is the IUPAC name of N-acetyl-6-bromonaphthalene-2-carboxamide?
The IUPAC name of N-acetyl-6-bromonaphthalene-2-carboxamide (CID 115353964) is N-acetyl-6-bromonaphthalene-2-carboxamide.
What is the SMILES notation for N-acetyl-6-bromonaphthalene-2-carboxamide?
The canonical SMILES for N-acetyl-6-bromonaphthalene-2-carboxamide is CC(=O)NC(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of N-acetyl-6-bromonaphthalene-2-carboxamide?
The InChIKey is DAGSOWZDFDJJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO2/c1-8(16)15-13(17)11-3-2-10-7-12(14)5-4-9(10)6-11/h2-7H,1H3,(H,15,16,17).
What are the key properties of N-acetyl-6-bromonaphthalene-2-carboxamide?
N-acetyl-6-bromonaphthalene-2-carboxamide has a molecular weight of 292.13 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-6-bromonaphthalene-2-carboxamide is sourced from PubChem (CID 115353964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).