2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide

C20H12Cl2N2O2 — CID 23969242

IUPAC2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESO=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1ccccc1Cl
InChIInChI=1S/C20H12Cl2N2O2/c21-13-5-3-4-12(10-13)20-24-17-11-14(8-9-18(17)26-20)23-19(25)15-6-1-2-7-16(15)22/h1-11H,(H,23,25)
InChIKeyIAFYEMSJWQVXQQ-UHFFFAOYSA-N
MW383.23 g/mol
LogP6.05
Rot. Bonds3

About 2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide

2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide (PubChem CID 23969242) has the molecular formula C20H12Cl2N2O2 and a molecular weight of 383.23 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
PubChem CID23969242
Molecular FormulaC20H12Cl2N2O2
Molecular Weight383.23 g/mol
Exact Mass382.03
IUPAC Name2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESO=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1ccccc1Cl
InChIInChI=1S/C20H12Cl2N2O2/c21-13-5-3-4-12(10-13)20-24-17-11-14(8-9-18(17)26-20)23-19(25)15-6-1-2-7-16(15)22/h1-11H,(H,23,25)
InChIKeyIAFYEMSJWQVXQQ-UHFFFAOYSA-N
XLogP6.05
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.23
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4623545
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-chlorobenzamide
CID 3968196
2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126393
2,3-dichloro-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1324915
2,5-dichloro-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126552
2-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 3309852
2-chloro-N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 21212589
2,5-dichloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095805
2-chloro-4-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23771066
N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 3125086
2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095801
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-fluorobenzamide
CID 2275789

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide (CID 23969242) is 2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide is O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The InChIKey is IAFYEMSJWQVXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N2O2/c21-13-5-3-4-12(10-13)20-24-17-11-14(8-9-18(17)26-20)23-19(25)15-6-1-2-7-16(15)22/h1-11H,(H,23,25).
What are the key properties of 2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide?
2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide has a molecular weight of 383.23 g/mol, XLogP of 6.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 23969242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).