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

C20H12Cl2N2O2 — CID 1126393

IUPAC2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccccc1Cl
InChIInChI=1S/C20H12Cl2N2O2/c21-15-7-3-1-5-13(15)19(25)23-12-9-10-18-17(11-12)24-20(26-18)14-6-2-4-8-16(14)22/h1-11H,(H,23,25)
InChIKeySNKHNUJHAOPTTQ-UHFFFAOYSA-N
MW383.23 g/mol
LogP6.05
Rot. Bonds3

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

2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide (PubChem CID 1126393) has the molecular formula C20H12Cl2N2O2 and a molecular weight of 383.23 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
PubChem CID1126393
Molecular FormulaC20H12Cl2N2O2
Molecular Weight383.23 g/mol
Exact Mass382.03
IUPAC Name2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccccc1Cl
InChIInChI=1S/C20H12Cl2N2O2/c21-15-7-3-1-5-13(15)19(25)23-12-9-10-18-17(11-12)24-20(26-18)14-6-2-4-8-16(14)22/h1-11H,(H,23,25)
InChIKeySNKHNUJHAOPTTQ-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-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1322845
2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4623545
2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23969242
2,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1085270
N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide
CID 709591
2-fluoro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2244594
5-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 3238969
5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3124271
N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide
CID 7537272
N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)naphthalene-1-carboxamide
CID 3117204
N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 1049602
N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide
CID 1305958

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide (CID 1126393) is 2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide is O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The InChIKey is SNKHNUJHAOPTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N2O2/c21-15-7-3-1-5-13(15)19(25)23-12-9-10-18-17(11-12)24-20(26-18)14-6-2-4-8-16(14)22/h1-11H,(H,23,25).
What are the key properties of 2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide?
2-chloro-N-[2-(2-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-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 1126393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).