7-bromo-N-(2-phenylethyl)-1-benzoxepine-4-carboxamide

C19H16BrNO2 — CID 20896589

IUPAC7-bromo-N-(2-phenylethyl)-1-benzoxepine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1
InChIInChI=1S/C19H16BrNO2/c20-17-6-7-18-16(13-17)12-15(9-11-23-18)19(22)21-10-8-14-4-2-1-3-5-14/h1-7,9,11-13H,8,10H2,(H,21,22)
InChIKeyPYIOOFGGNMAAOF-UHFFFAOYSA-N
MW370.25 g/mol
LogP4.10
Rot. Bonds4

About 7-bromo-N-(2-phenylethyl)-1-benzoxepine-4-carboxamide

7-bromo-N-(2-phenylethyl)-1-benzoxepine-4-carboxamide (PubChem CID 20896589) has the molecular formula C19H16BrNO2 and a molecular weight of 370.25 g/mol. Its IUPAC name is 7-bromo-N-(2-phenylethyl)-1-benzoxepine-4-carboxamide.

Molecular Properties

Compound Name7-bromo-N-(2-phenylethyl)-1-benzoxepine-4-carboxamide
PubChem CID20896589
Molecular FormulaC19H16BrNO2
Molecular Weight370.25 g/mol
Exact Mass369.04
IUPAC Name7-bromo-N-(2-phenylethyl)-1-benzoxepine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1
InChIInChI=1S/C19H16BrNO2/c20-17-6-7-18-16(13-17)12-15(9-11-23-18)19(22)21-10-8-14-4-2-1-3-5-14/h1-7,9,11-13H,8,10H2,(H,21,22)
InChIKeyPYIOOFGGNMAAOF-UHFFFAOYSA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-bromo-N-(2-phenylethyl)-1-benzoxepine-4-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

7-bromo-N-(2-ethylphenyl)-1-benzoxepine-4-carboxamide
CID 17015438
7-bromo-N-(2-oxo-2-thiophen-2-ylethyl)-1-benzoxepine-4-carboxamide
CID 20896609
3,5-dibromo-N-(2-phenylethyl)benzamide
CID 107980021
4-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 22346935
5-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 17094208
N-[2-(3-bromophenyl)ethyl]benzamide
CID 90847047
2-(4-bromophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993255
6-bromo-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 110296017
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylethyl)acetamide
CID 38952079
2-amino-4-bromo-N-(3-phenylpropyl)benzamide
CID 79720097
5-bromo-2-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoate
CID 7366889
3-(4-bromo-2-methylanilino)-N-(2-phenylethyl)propanamide
CID 109024204

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(2-phenylethyl)-1-benzoxepine-4-carboxamide?
The IUPAC name of 7-bromo-N-(2-phenylethyl)-1-benzoxepine-4-carboxamide (CID 20896589) is 7-bromo-N-(2-phenylethyl)-1-benzoxepine-4-carboxamide.
What is the SMILES notation for 7-bromo-N-(2-phenylethyl)-1-benzoxepine-4-carboxamide?
The canonical SMILES for 7-bromo-N-(2-phenylethyl)-1-benzoxepine-4-carboxamide is O=C(NCCc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1.
What is the InChIKey of 7-bromo-N-(2-phenylethyl)-1-benzoxepine-4-carboxamide?
The InChIKey is PYIOOFGGNMAAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO2/c20-17-6-7-18-16(13-17)12-15(9-11-23-18)19(22)21-10-8-14-4-2-1-3-5-14/h1-7,9,11-13H,8,10H2,(H,21,22).
What are the key properties of 7-bromo-N-(2-phenylethyl)-1-benzoxepine-4-carboxamide?
7-bromo-N-(2-phenylethyl)-1-benzoxepine-4-carboxamide has a molecular weight of 370.25 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(2-phenylethyl)-1-benzoxepine-4-carboxamide is sourced from PubChem (CID 20896589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).