N-(2-bromophenyl)naphthalene-1-carboxamide

C17H12BrNO — CID 830694

IUPACN-(2-bromophenyl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccccc1Br)c1cccc2ccccc12
InChIInChI=1S/C17H12BrNO/c18-15-10-3-4-11-16(15)19-17(20)14-9-5-7-12-6-1-2-8-13(12)14/h1-11H,(H,19,20)
InChIKeyYVICOCFHIYFDJP-UHFFFAOYSA-N
MW326.19 g/mol
LogP4.85
Rot. Bonds2

About N-(2-bromophenyl)naphthalene-1-carboxamide

N-(2-bromophenyl)naphthalene-1-carboxamide (PubChem CID 830694) has the molecular formula C17H12BrNO and a molecular weight of 326.19 g/mol. Its IUPAC name is N-(2-bromophenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)naphthalene-1-carboxamide
PubChem CID830694
Molecular FormulaC17H12BrNO
Molecular Weight326.19 g/mol
Exact Mass325.01
IUPAC NameN-(2-bromophenyl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccccc1Br)c1cccc2ccccc12
InChIInChI=1S/C17H12BrNO/c18-15-10-3-4-11-16(15)19-17(20)14-9-5-7-12-6-1-2-8-13(12)14/h1-11H,(H,19,20)
InChIKeyYVICOCFHIYFDJP-UHFFFAOYSA-N
XLogP4.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-bromophenyl)naphthalene-1-carboxamide (CID 830694) is N-(2-bromophenyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-bromophenyl)naphthalene-1-carboxamide is O=C(Nc1ccccc1Br)c1cccc2ccccc12.
What is the InChIKey of N-(2-bromophenyl)naphthalene-1-carboxamide?
The InChIKey is YVICOCFHIYFDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO/c18-15-10-3-4-11-16(15)19-17(20)14-9-5-7-12-6-1-2-8-13(12)14/h1-11H,(H,19,20).
What are the key properties of N-(2-bromophenyl)naphthalene-1-carboxamide?
N-(2-bromophenyl)naphthalene-1-carboxamide has a molecular weight of 326.19 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 830694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).