6-bromo-N-carbamoylnaphthalene-2-carboxamide

C12H9BrN2O2 — CID 115354574

IUPAC6-bromo-N-carbamoylnaphthalene-2-carboxamide
SMILESNC(=O)NC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C12H9BrN2O2/c13-10-4-3-7-5-9(2-1-8(7)6-10)11(16)15-12(14)17/h1-6H,(H3,14,15,16,17)
InChIKeyVZMCOTFGEIRDFL-UHFFFAOYSA-N
MW293.12 g/mol
LogP2.41
Rot. Bonds1

About 6-bromo-N-carbamoylnaphthalene-2-carboxamide

6-bromo-N-carbamoylnaphthalene-2-carboxamide (PubChem CID 115354574) has the molecular formula C12H9BrN2O2 and a molecular weight of 293.12 g/mol. Its IUPAC name is 6-bromo-N-carbamoylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-carbamoylnaphthalene-2-carboxamide
PubChem CID115354574
Molecular FormulaC12H9BrN2O2
Molecular Weight293.12 g/mol
Exact Mass291.98
IUPAC Name6-bromo-N-carbamoylnaphthalene-2-carboxamide
SMILESNC(=O)NC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C12H9BrN2O2/c13-10-4-3-7-5-9(2-1-8(7)6-10)11(16)15-12(14)17/h1-6H,(H3,14,15,16,17)
InChIKeyVZMCOTFGEIRDFL-UHFFFAOYSA-N
XLogP2.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-acetyl-6-bromonaphthalene-2-carboxamide
CID 115353964
[(6-bromonaphthalene-2-carbonyl)amino]thiourea
CID 113292814
N-(3-amino-3-oxopropyl)-6-bromonaphthalene-2-carboxamide
CID 91636090
6-bromo-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide
CID 115283099
6-bromo-N-[1-(hydroxymethyl)cyclopropyl]naphthalene-2-carboxamide
CID 113344700
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-6-bromonaphthalene-2-carboxamide
CID 115353856
2,4-dibromo-N-carbamoylbenzamide
CID 107941660
6-bromo-N-(1,3-dihydroxypropan-2-yl)naphthalene-2-carboxamide
CID 115354026
N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide
CID 104877086
2,5-dibromo-N-carbamoylbenzamide
CID 114375953
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-6-bromonaphthalene-2-carboxamide
CID 115353870
6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide
CID 113278451

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-carbamoylnaphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-carbamoylnaphthalene-2-carboxamide (CID 115354574) is 6-bromo-N-carbamoylnaphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-carbamoylnaphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-carbamoylnaphthalene-2-carboxamide is NC(=O)NC(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-carbamoylnaphthalene-2-carboxamide?
The InChIKey is VZMCOTFGEIRDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O2/c13-10-4-3-7-5-9(2-1-8(7)6-10)11(16)15-12(14)17/h1-6H,(H3,14,15,16,17).
What are the key properties of 6-bromo-N-carbamoylnaphthalene-2-carboxamide?
6-bromo-N-carbamoylnaphthalene-2-carboxamide has a molecular weight of 293.12 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-carbamoylnaphthalene-2-carboxamide is sourced from PubChem (CID 115354574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).