N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-3,5-dichloro-2-methoxybenzamide

C25H16Cl2N2O3 — CID 39380434

IUPACN-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-3,5-dichloro-2-methoxybenzamide
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1
InChIInChI=1S/C25H16Cl2N2O3/c1-31-23-19(12-16(26)13-20(23)27)24(30)28-17-7-4-6-15(11-17)25-29-22-18-8-3-2-5-14(18)9-10-21(22)32-25/h2-13H,1H3,(H,28,30)
InChIKeyOASBLYHWQUHFEO-UHFFFAOYSA-N
MW463.32 g/mol
LogP7.22
Rot. Bonds4

About N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-3,5-dichloro-2-methoxybenzamide

N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-3,5-dichloro-2-methoxybenzamide (PubChem CID 39380434) has the molecular formula C25H16Cl2N2O3 and a molecular weight of 463.32 g/mol. Its IUPAC name is N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-3,5-dichloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-3,5-dichloro-2-methoxybenzamide
PubChem CID39380434
Molecular FormulaC25H16Cl2N2O3
Molecular Weight463.32 g/mol
Exact Mass462.05
IUPAC NameN-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-3,5-dichloro-2-methoxybenzamide
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1
InChIInChI=1S/C25H16Cl2N2O3/c1-31-23-19(12-16(26)13-20(23)27)24(30)28-17-7-4-6-15(11-17)25-29-22-18-8-3-2-5-14(18)9-10-21(22)32-25/h2-13H,1H3,(H,28,30)
InChIKeyOASBLYHWQUHFEO-UHFFFAOYSA-N
XLogP7.22
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.32
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-3,5-dichloro-2-methoxybenzamide 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-benzo[e][1,3]benzoxazol-2-ylphenyl)-2,5-dichlorobenzamide
CID 39380118
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)naphthalene-1-carboxamide
CID 3314222
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide
CID 1047424
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-chlorobenzamide
CID 40619533
3,5-dichloro-2-methoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
CID 4258037
3,5-dichloro-2-methoxy-N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17117163
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-chloro-5-nitrobenzamide
CID 39380150
N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-2-chloro-4-methylbenzamide
CID 3587754
N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 5038968
N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-2-bromobenzamide
CID 4566084
3,5-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 17128466
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)pyridine-3-carboxamide
CID 5109367

Frequently Asked Questions

What is the IUPAC name of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-3,5-dichloro-2-methoxybenzamide?
The IUPAC name of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-3,5-dichloro-2-methoxybenzamide (CID 39380434) is N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-3,5-dichloro-2-methoxybenzamide.
What is the SMILES notation for N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-3,5-dichloro-2-methoxybenzamide?
The canonical SMILES for N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-3,5-dichloro-2-methoxybenzamide is COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1.
What is the InChIKey of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-3,5-dichloro-2-methoxybenzamide?
The InChIKey is OASBLYHWQUHFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl2N2O3/c1-31-23-19(12-16(26)13-20(23)27)24(30)28-17-7-4-6-15(11-17)25-29-22-18-8-3-2-5-14(18)9-10-21(22)32-25/h2-13H,1H3,(H,28,30).
What are the key properties of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-3,5-dichloro-2-methoxybenzamide?
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-3,5-dichloro-2-methoxybenzamide has a molecular weight of 463.32 g/mol, XLogP of 7.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-3,5-dichloro-2-methoxybenzamide is sourced from PubChem (CID 39380434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).