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

C24H14Cl2N2O2 — CID 39380118

IUPACN-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2,5-dichlorobenzamide
SMILESO=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C24H14Cl2N2O2/c25-16-9-10-20(26)19(13-16)23(29)27-17-6-3-5-15(12-17)24-28-22-18-7-2-1-4-14(18)8-11-21(22)30-24/h1-13H,(H,27,29)
InChIKeyORMKGPWCZLVQSK-UHFFFAOYSA-N
MW433.29 g/mol
LogP7.21
Rot. Bonds3

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

N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2,5-dichlorobenzamide (PubChem CID 39380118) has the molecular formula C24H14Cl2N2O2 and a molecular weight of 433.29 g/mol. Its IUPAC name is N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2,5-dichlorobenzamide.

Molecular Properties

Compound NameN-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2,5-dichlorobenzamide
PubChem CID39380118
Molecular FormulaC24H14Cl2N2O2
Molecular Weight433.29 g/mol
Exact Mass432.04
IUPAC NameN-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2,5-dichlorobenzamide
SMILESO=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C24H14Cl2N2O2/c25-16-9-10-20(26)19(13-16)23(29)27-17-6-3-5-15(12-17)24-28-22-18-7-2-1-4-14(18)8-11-21(22)30-24/h1-13H,(H,27,29)
InChIKeyORMKGPWCZLVQSK-UHFFFAOYSA-N
XLogP7.21
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.29
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2,5-dichlorobenzamide 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)-4-chlorobenzamide
CID 40619533
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)naphthalene-1-carboxamide
CID 3314222
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-3,5-dichloro-2-methoxybenzamide
CID 39380434
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-chloro-5-nitrobenzamide
CID 39380150
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)pyridine-3-carboxamide
CID 5109367
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide
CID 1047424
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-chloro-4-methylbenzamide
CID 3587754
N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-2-bromobenzamide
CID 4566084
2,5-dichloro-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126552
2,5-dichloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095805
2,4-dichloro-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 17296891

Frequently Asked Questions

What is the IUPAC name of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2,5-dichlorobenzamide?
The IUPAC name of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2,5-dichlorobenzamide (CID 39380118) is N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2,5-dichlorobenzamide.
What is the SMILES notation for N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2,5-dichlorobenzamide?
The canonical SMILES for N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2,5-dichlorobenzamide is O=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2,5-dichlorobenzamide?
The InChIKey is ORMKGPWCZLVQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2N2O2/c25-16-9-10-20(26)19(13-16)23(29)27-17-6-3-5-15(12-17)24-28-22-18-7-2-1-4-14(18)8-11-21(22)30-24/h1-13H,(H,27,29).
What are the key properties of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2,5-dichlorobenzamide?
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2,5-dichlorobenzamide has a molecular weight of 433.29 g/mol, XLogP of 7.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2,5-dichlorobenzamide is sourced from PubChem (CID 39380118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).