3,4-dichloro-N-[3-oxo-4-[(1R)-1-phenylethyl]-5H-1,4-benzoxazepin-7-yl]benzamide

C24H20Cl2N2O3 — CID 93124030

IUPAC3,4-dichloro-N-[3-oxo-4-[(1R)-1-phenylethyl]-5H-1,4-benzoxazepin-7-yl]benzamide
SMILESC[C@H](c1ccccc1)N1Cc2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc2OCC1=O
InChIInChI=1S/C24H20Cl2N2O3/c1-15(16-5-3-2-4-6-16)28-13-18-11-19(8-10-22(18)31-14-23(28)29)27-24(30)17-7-9-20(25)21(26)12-17/h2-12,15H,13-14H2,1H3,(H,27,30)/t15-/m1/s1
InChIKeyHNOZDFCIEKZGTL-OAHLLOKOSA-N
MW455.34 g/mol
LogP5.73
Rot. Bonds4

About 3,4-dichloro-N-[3-oxo-4-[(1R)-1-phenylethyl]-5H-1,4-benzoxazepin-7-yl]benzamide

3,4-dichloro-N-[3-oxo-4-[(1R)-1-phenylethyl]-5H-1,4-benzoxazepin-7-yl]benzamide (PubChem CID 93124030) has the molecular formula C24H20Cl2N2O3 and a molecular weight of 455.34 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-oxo-4-[(1R)-1-phenylethyl]-5H-1,4-benzoxazepin-7-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-oxo-4-[(1R)-1-phenylethyl]-5H-1,4-benzoxazepin-7-yl]benzamide
PubChem CID93124030
Molecular FormulaC24H20Cl2N2O3
Molecular Weight455.34 g/mol
Exact Mass454.09
IUPAC Name3,4-dichloro-N-[3-oxo-4-[(1R)-1-phenylethyl]-5H-1,4-benzoxazepin-7-yl]benzamide
SMILESC[C@H](c1ccccc1)N1Cc2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc2OCC1=O
InChIInChI=1S/C24H20Cl2N2O3/c1-15(16-5-3-2-4-6-16)28-13-18-11-19(8-10-22(18)31-14-23(28)29)27-24(30)17-7-9-20(25)21(26)12-17/h2-12,15H,13-14H2,1H3,(H,27,30)/t15-/m1/s1
InChIKeyHNOZDFCIEKZGTL-OAHLLOKOSA-N
XLogP5.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.34
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,4-dichloro-N-[3-oxo-4-[(1R)-1-phenylethyl]-5H-1,4-benzoxazepin-7-yl]benzamide 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

N-[3-oxo-4-[(1R)-1-phenylethyl]-5H-1,4-benzoxazepin-7-yl]-2-thiophen-2-ylacetamide
CID 93124034
3,4-dimethoxy-N-[3-oxo-4-(1-phenylpropyl)-5H-1,4-benzoxazepin-7-yl]benzamide
CID 42804221
N-(4-benzyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-chlorobenzamide
CID 42801687
2,4-difluoro-N-[3-oxo-4-[(1R)-1-phenylpropyl]-5H-1,4-benzoxazepin-7-yl]benzamide
CID 93124446
4-benzyl-N-(4-ethylphenyl)-3-oxo-5H-1,4-benzoxazepine-7-carboxamide
CID 91894734
N-[4-(2-methylpropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-phenylbutanamide
CID 42801679
3,4-dichloro-N-[(2R)-4-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide
CID 93121318
N-(3-chloro-4-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763897
4-(2-methoxyethyl)-3-oxo-N-phenyl-5H-1,4-benzoxazepine-7-carboxamide
CID 91894681
N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide
CID 896623
1-[(2S)-2-ethyl-3-oxo-4-[(1R)-1-phenylethyl]-5H-1,4-benzoxazepin-7-yl]-3-(4-propan-2-ylphenyl)urea
CID 93124606
3,4-dichloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7498736

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-oxo-4-[(1R)-1-phenylethyl]-5H-1,4-benzoxazepin-7-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[3-oxo-4-[(1R)-1-phenylethyl]-5H-1,4-benzoxazepin-7-yl]benzamide (CID 93124030) is 3,4-dichloro-N-[3-oxo-4-[(1R)-1-phenylethyl]-5H-1,4-benzoxazepin-7-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[3-oxo-4-[(1R)-1-phenylethyl]-5H-1,4-benzoxazepin-7-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[3-oxo-4-[(1R)-1-phenylethyl]-5H-1,4-benzoxazepin-7-yl]benzamide is C[C@H](c1ccccc1)N1Cc2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc2OCC1=O.
What is the InChIKey of 3,4-dichloro-N-[3-oxo-4-[(1R)-1-phenylethyl]-5H-1,4-benzoxazepin-7-yl]benzamide?
The InChIKey is HNOZDFCIEKZGTL-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H20Cl2N2O3/c1-15(16-5-3-2-4-6-16)28-13-18-11-19(8-10-22(18)31-14-23(28)29)27-24(30)17-7-9-20(25)21(26)12-17/h2-12,15H,13-14H2,1H3,(H,27,30)/t15-/m1/s1.
What are the key properties of 3,4-dichloro-N-[3-oxo-4-[(1R)-1-phenylethyl]-5H-1,4-benzoxazepin-7-yl]benzamide?
3,4-dichloro-N-[3-oxo-4-[(1R)-1-phenylethyl]-5H-1,4-benzoxazepin-7-yl]benzamide has a molecular weight of 455.34 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[3-oxo-4-[(1R)-1-phenylethyl]-5H-1,4-benzoxazepin-7-yl]benzamide is sourced from PubChem (CID 93124030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).