2,3-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]benzamide

C22H16Cl2N2O4 — CID 2279423

IUPAC2,3-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCOc1ccc(-c2nc3cc(NC(=O)c4cccc(Cl)c4Cl)ccc3o2)cc1OC
InChIInChI=1S/C22H16Cl2N2O4/c1-28-18-8-6-12(10-19(18)29-2)22-26-16-11-13(7-9-17(16)30-22)25-21(27)14-4-3-5-15(23)20(14)24/h3-11H,1-2H3,(H,25,27)
InChIKeyOBYMBWXDVRXPCS-UHFFFAOYSA-N
MW443.29 g/mol
LogP6.07
Rot. Bonds5

About 2,3-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]benzamide

2,3-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]benzamide (PubChem CID 2279423) has the molecular formula C22H16Cl2N2O4 and a molecular weight of 443.29 g/mol. Its IUPAC name is 2,3-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
PubChem CID2279423
Molecular FormulaC22H16Cl2N2O4
Molecular Weight443.29 g/mol
Exact Mass442.05
IUPAC Name2,3-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCOc1ccc(-c2nc3cc(NC(=O)c4cccc(Cl)c4Cl)ccc3o2)cc1OC
InChIInChI=1S/C22H16Cl2N2O4/c1-28-18-8-6-12(10-19(18)29-2)22-26-16-11-13(7-9-17(16)30-22)25-21(27)14-4-3-5-15(23)20(14)24/h3-11H,1-2H3,(H,25,27)
InChIKeyOBYMBWXDVRXPCS-UHFFFAOYSA-N
XLogP6.07
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.29
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 21212589
N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxy-3-methylbenzamide
CID 17128462
3,5-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 17128466
2,3-dichloro-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1324915
N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 880667
2,3-dichloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 2282158
5-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 17128523
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17092589
5-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 17128532
5-bromo-2-chloro-N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
CID 17128584
N-[4-[5-[(3,4-dimethoxybenzoyl)amino]-1,3-benzoxazol-2-yl]phenyl]-3,4-dimethoxybenzamide
CID 53356241
2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23969242

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]benzamide (CID 2279423) is 2,3-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]benzamide is COc1ccc(-c2nc3cc(NC(=O)c4cccc(Cl)c4Cl)ccc3o2)cc1OC.
What is the InChIKey of 2,3-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]benzamide?
The InChIKey is OBYMBWXDVRXPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O4/c1-28-18-8-6-12(10-19(18)29-2)22-26-16-11-13(7-9-17(16)30-22)25-21(27)14-4-3-5-15(23)20(14)24/h3-11H,1-2H3,(H,25,27).
What are the key properties of 2,3-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]benzamide?
2,3-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]benzamide has a molecular weight of 443.29 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 2279423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).