N-(4-bromo-2-methylphenyl)naphthalene-2-carboxamide

C18H14BrNO — CID 823850

IUPACN-(4-bromo-2-methylphenyl)naphthalene-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H14BrNO/c1-12-10-16(19)8-9-17(12)20-18(21)15-7-6-13-4-2-3-5-14(13)11-15/h2-11H,1H3,(H,20,21)
InChIKeyQDOYRUBXBHREAH-UHFFFAOYSA-N
MW340.22 g/mol
LogP5.16
Rot. Bonds2

About N-(4-bromo-2-methylphenyl)naphthalene-2-carboxamide

N-(4-bromo-2-methylphenyl)naphthalene-2-carboxamide (PubChem CID 823850) has the molecular formula C18H14BrNO and a molecular weight of 340.22 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)naphthalene-2-carboxamide
PubChem CID823850
Molecular FormulaC18H14BrNO
Molecular Weight340.22 g/mol
Exact Mass339.03
IUPAC NameN-(4-bromo-2-methylphenyl)naphthalene-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H14BrNO/c1-12-10-16(19)8-9-17(12)20-18(21)15-7-6-13-4-2-3-5-14(13)11-15/h2-11H,1H3,(H,20,21)
InChIKeyQDOYRUBXBHREAH-UHFFFAOYSA-N
XLogP5.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.22
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)naphthalene-2-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)naphthalene-2-carboxamide (CID 823850) is N-(4-bromo-2-methylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)naphthalene-2-carboxamide is Cc1cc(Br)ccc1NC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)naphthalene-2-carboxamide?
The InChIKey is QDOYRUBXBHREAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO/c1-12-10-16(19)8-9-17(12)20-18(21)15-7-6-13-4-2-3-5-14(13)11-15/h2-11H,1H3,(H,20,21).
What are the key properties of N-(4-bromo-2-methylphenyl)naphthalene-2-carboxamide?
N-(4-bromo-2-methylphenyl)naphthalene-2-carboxamide has a molecular weight of 340.22 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 823850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).