3,5-dichloro-2-methoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide

C21H14Cl2N2O3 — CID 4258037

IUPAC3,5-dichloro-2-methoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C21H14Cl2N2O3/c1-27-19-15(9-13(22)10-16(19)23)20(26)24-14-7-8-18-17(11-14)25-21(28-18)12-5-3-2-4-6-12/h2-11H,1H3,(H,24,26)
InChIKeyKLZJGOYSAZKOBX-UHFFFAOYSA-N
MW413.26 g/mol
LogP6.06
Rot. Bonds4

About 3,5-dichloro-2-methoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide

3,5-dichloro-2-methoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 4258037) has the molecular formula C21H14Cl2N2O3 and a molecular weight of 413.26 g/mol. Its IUPAC name is 3,5-dichloro-2-methoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-2-methoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
PubChem CID4258037
Molecular FormulaC21H14Cl2N2O3
Molecular Weight413.26 g/mol
Exact Mass412.04
IUPAC Name3,5-dichloro-2-methoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C21H14Cl2N2O3/c1-27-19-15(9-13(22)10-16(19)23)20(26)24-14-7-8-18-17(11-14)25-21(28-18)12-5-3-2-4-6-12/h2-11H,1H3,(H,24,26)
InChIKeyKLZJGOYSAZKOBX-UHFFFAOYSA-N
XLogP6.06
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.26
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-2-methoxy-N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17117163
3,5-dichloro-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 17110594
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,5-dichloro-2-methoxybenzamide
CID 17117177
3,5-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 17128466
N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-3,5-dichloro-2-methoxybenzamide
CID 43913529
N-(2-benzyl-1,3-benzoxazol-5-yl)-3,5-dichloro-2-methoxybenzamide
CID 17163170
N-[4-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3,5-dichloro-2-methoxybenzamide
CID 28866108
3,5-dichloro-N-[[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxybenzamide
CID 17314643
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-3,5-dichloro-2-methoxybenzamide
CID 39380434
5-bromo-2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
CID 1108422
2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095801
N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 1049602

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-methoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 3,5-dichloro-2-methoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide (CID 4258037) is 3,5-dichloro-2-methoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 3,5-dichloro-2-methoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 3,5-dichloro-2-methoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide is COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1.
What is the InChIKey of 3,5-dichloro-2-methoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is KLZJGOYSAZKOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O3/c1-27-19-15(9-13(22)10-16(19)23)20(26)24-14-7-8-18-17(11-14)25-21(28-18)12-5-3-2-4-6-12/h2-11H,1H3,(H,24,26).
What are the key properties of 3,5-dichloro-2-methoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide?
3,5-dichloro-2-methoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 413.26 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-methoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 4258037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).