6-bromo-3-methylnaphthalene-2-carboxamide

C12H10BrNO — CID 20595138

IUPAC6-bromo-3-methylnaphthalene-2-carboxamide
SMILESCc1cc2cc(Br)ccc2cc1C(N)=O
InChIInChI=1S/C12H10BrNO/c1-7-4-9-5-10(13)3-2-8(9)6-11(7)12(14)15/h2-6H,1H3,(H2,14,15)
InChIKeyHAISYZSGMOPRBS-UHFFFAOYSA-N
MW264.12 g/mol
LogP3.01
Rot. Bonds1

About 6-bromo-3-methylnaphthalene-2-carboxamide

6-bromo-3-methylnaphthalene-2-carboxamide (PubChem CID 20595138) has the molecular formula C12H10BrNO and a molecular weight of 264.12 g/mol. Its IUPAC name is 6-bromo-3-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-3-methylnaphthalene-2-carboxamide
PubChem CID20595138
Molecular FormulaC12H10BrNO
Molecular Weight264.12 g/mol
Exact Mass262.99
IUPAC Name6-bromo-3-methylnaphthalene-2-carboxamide
SMILESCc1cc2cc(Br)ccc2cc1C(N)=O
InChIInChI=1S/C12H10BrNO/c1-7-4-9-5-10(13)3-2-8(9)6-11(7)12(14)15/h2-6H,1H3,(H2,14,15)
InChIKeyHAISYZSGMOPRBS-UHFFFAOYSA-N
XLogP3.01
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-bromo-3-methylnaphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-carbamoyl-2,5-dimethylbenzoic acid
CID 165441285
4-bromo-2-methylsulfanylbenzamide
CID 154647138
2,6-dibromonaphthalene
CID 640591
CID 70080980
CID 70080980
[(6-bromonaphthalene-2-carbonyl)amino]thiourea
CID 113292814
(6-bromo-3-carbamoylchromen-2-ylidene)azanium
CID 40541342
4-bromo-5-fluoro-2-methylbenzamide
CID 121366312
(6-bromo-3-methylnaphthalen-2-yl)methanamine
CID 20595135
6-bromo-N-carbamoylnaphthalene-2-carboxamide
CID 115354574
5-bromo-2-(4-bromo-3-methylphenoxy)benzamide
CID 114892345
(6-bromonaphthalen-2-yl)-(4-methyl-3-pyridinyl)methanone
CID 115781346
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-6-bromonaphthalene-2-carboxamide
CID 115353856

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methylnaphthalene-2-carboxamide?
The IUPAC name of 6-bromo-3-methylnaphthalene-2-carboxamide (CID 20595138) is 6-bromo-3-methylnaphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-3-methylnaphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-3-methylnaphthalene-2-carboxamide is Cc1cc2cc(Br)ccc2cc1C(N)=O.
What is the InChIKey of 6-bromo-3-methylnaphthalene-2-carboxamide?
The InChIKey is HAISYZSGMOPRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO/c1-7-4-9-5-10(13)3-2-8(9)6-11(7)12(14)15/h2-6H,1H3,(H2,14,15).
What are the key properties of 6-bromo-3-methylnaphthalene-2-carboxamide?
6-bromo-3-methylnaphthalene-2-carboxamide has a molecular weight of 264.12 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 20595138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).