N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-chlorobenzamide

C24H15ClN2O2 — CID 40619533

IUPACN-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-chlorobenzamide
SMILESO=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C24H15ClN2O2/c25-18-11-8-16(9-12-18)23(28)26-19-6-3-5-17(14-19)24-27-22-20-7-2-1-4-15(20)10-13-21(22)29-24/h1-14H,(H,26,28)
InChIKeyQKWWZRYDTXEZBC-UHFFFAOYSA-N
MW398.85 g/mol
LogP6.55
Rot. Bonds3

About N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-chlorobenzamide

N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-chlorobenzamide (PubChem CID 40619533) has the molecular formula C24H15ClN2O2 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-chlorobenzamide
PubChem CID40619533
Molecular FormulaC24H15ClN2O2
Molecular Weight398.85 g/mol
Exact Mass398.08
IUPAC NameN-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-chlorobenzamide
SMILESO=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C24H15ClN2O2/c25-18-11-8-16(9-12-18)23(28)26-19-6-3-5-17(14-19)24-27-22-20-7-2-1-4-15(20)10-13-21(22)29-24/h1-14H,(H,26,28)
InChIKeyQKWWZRYDTXEZBC-UHFFFAOYSA-N
XLogP6.55
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.85
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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)-4-methoxybenzamide
CID 1047424
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)naphthalene-1-carboxamide
CID 3314222
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)pyridine-3-carboxamide
CID 5109367
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-(4-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methylbenzamide
CID 1047427
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
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(3-methylphenoxy)acetamide
CID 40618366
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3,4-dimethylbenzamide
CID 1116351

Frequently Asked Questions

What is the IUPAC name of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-chlorobenzamide?
The IUPAC name of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-chlorobenzamide (CID 40619533) is N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-chlorobenzamide.
What is the SMILES notation for N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-chlorobenzamide?
The canonical SMILES for N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-chlorobenzamide is O=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1ccc(Cl)cc1.
What is the InChIKey of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-chlorobenzamide?
The InChIKey is QKWWZRYDTXEZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClN2O2/c25-18-11-8-16(9-12-18)23(28)26-19-6-3-5-17(14-19)24-27-22-20-7-2-1-4-15(20)10-13-21(22)29-24/h1-14H,(H,26,28).
What are the key properties of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-chlorobenzamide?
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-chlorobenzamide has a molecular weight of 398.85 g/mol, XLogP of 6.55, 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)-4-chlorobenzamide is sourced from PubChem (CID 40619533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).