4-bromo-N,N-diethylnaphthalene-1-carboxamide

C15H16BrNO — CID 53216853

IUPAC4-bromo-N,N-diethylnaphthalene-1-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Br)c2ccccc12
InChIInChI=1S/C15H16BrNO/c1-3-17(4-2)15(18)13-9-10-14(16)12-8-6-5-7-11(12)13/h5-10H,3-4H2,1-2H3
InChIKeyFVXQMTWRIJFMFB-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.08
Rot. Bonds3

About 4-bromo-N,N-diethylnaphthalene-1-carboxamide

4-bromo-N,N-diethylnaphthalene-1-carboxamide (PubChem CID 53216853) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 4-bromo-N,N-diethylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name4-bromo-N,N-diethylnaphthalene-1-carboxamide
PubChem CID53216853
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name4-bromo-N,N-diethylnaphthalene-1-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Br)c2ccccc12
InChIInChI=1S/C15H16BrNO/c1-3-17(4-2)15(18)13-9-10-14(16)12-8-6-5-7-11(12)13/h5-10H,3-4H2,1-2H3
InChIKeyFVXQMTWRIJFMFB-UHFFFAOYSA-N
XLogP4.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-bromo-N,N-diethylnaphthalene-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-diethylnaphthalene-1-carboxamide?
The IUPAC name of 4-bromo-N,N-diethylnaphthalene-1-carboxamide (CID 53216853) is 4-bromo-N,N-diethylnaphthalene-1-carboxamide.
What is the SMILES notation for 4-bromo-N,N-diethylnaphthalene-1-carboxamide?
The canonical SMILES for 4-bromo-N,N-diethylnaphthalene-1-carboxamide is CCN(CC)C(=O)c1ccc(Br)c2ccccc12.
What is the InChIKey of 4-bromo-N,N-diethylnaphthalene-1-carboxamide?
The InChIKey is FVXQMTWRIJFMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-3-17(4-2)15(18)13-9-10-14(16)12-8-6-5-7-11(12)13/h5-10H,3-4H2,1-2H3.
What are the key properties of 4-bromo-N,N-diethylnaphthalene-1-carboxamide?
4-bromo-N,N-diethylnaphthalene-1-carboxamide has a molecular weight of 306.20 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-diethylnaphthalene-1-carboxamide is sourced from PubChem (CID 53216853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).