N-(2-bromo-4-methylphenyl)naphthalene-1-carboxamide

C18H14BrNO — CID 772129

IUPACN-(2-bromo-4-methylphenyl)naphthalene-1-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3ccccc23)c(Br)c1
InChIInChI=1S/C18H14BrNO/c1-12-9-10-17(16(19)11-12)20-18(21)15-8-4-6-13-5-2-3-7-14(13)15/h2-11H,1H3,(H,20,21)
InChIKeyUCJHHXZDHFDWPC-UHFFFAOYSA-N
MW340.22 g/mol
LogP5.16
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)naphthalene-1-carboxamide

N-(2-bromo-4-methylphenyl)naphthalene-1-carboxamide (PubChem CID 772129) has the molecular formula C18H14BrNO and a molecular weight of 340.22 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)naphthalene-1-carboxamide
PubChem CID772129
Molecular FormulaC18H14BrNO
Molecular Weight340.22 g/mol
Exact Mass339.03
IUPAC NameN-(2-bromo-4-methylphenyl)naphthalene-1-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3ccccc23)c(Br)c1
InChIInChI=1S/C18H14BrNO/c1-12-9-10-17(16(19)11-12)20-18(21)15-8-4-6-13-5-2-3-7-14(13)15/h2-11H,1H3,(H,20,21)
InChIKeyUCJHHXZDHFDWPC-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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Related Compounds

N-(2-fluorophenyl)naphthalene-2-carboxamide
CID 883701
N-(4-fluorophenyl)naphthalene-1-carboxamide
CID 532199
N-(2-Naphthyl)-1-naphthalenecarboxamide
CID 224149
N-(4-bromo-2-methylphenyl)-2-naphthamide
CID 823850
N-(2-bromophenyl)naphthalene-1-carboxamide
CID 830694
Benzamide, N-(2-bromophenyl)-
CID 101311
3-methyl-N-(naphthalen-2-yl)benzamide
CID 687041
4-methyl-N-(naphthalen-2-yl)benzamide
CID 795381
N-(2-bromophenyl)-2-(2-naphthyl)acetamide
CID 894540
3-bromo-N-(4-propan-2-ylphenyl)benzamide
CID 765231
N-(2-methylphenyl)naphthalene-2-carboxamide
CID 790563
2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 795594

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)naphthalene-1-carboxamide (CID 772129) is N-(2-bromo-4-methylphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)naphthalene-1-carboxamide is Cc1ccc(NC(=O)c2cccc3ccccc23)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)naphthalene-1-carboxamide?
The InChIKey is UCJHHXZDHFDWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO/c1-12-9-10-17(16(19)11-12)20-18(21)15-8-4-6-13-5-2-3-7-14(13)15/h2-11H,1H3,(H,20,21).
What are the key properties of N-(2-bromo-4-methylphenyl)naphthalene-1-carboxamide?
N-(2-bromo-4-methylphenyl)naphthalene-1-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-(2-bromo-4-methylphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 772129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).