3,5-dichloro-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide

C21H13Cl3N2O3 — CID 17110594

IUPAC3,5-dichloro-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C21H13Cl3N2O3/c1-28-19-15(8-13(23)9-16(19)24)20(27)25-14-5-2-11(3-6-14)21-26-17-10-12(22)4-7-18(17)29-21/h2-10H,1H3,(H,25,27)
InChIKeyJSWMCPLVVPQOGV-UHFFFAOYSA-N
MW447.71 g/mol
LogP6.72
Rot. Bonds4

About 3,5-dichloro-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide

3,5-dichloro-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide (PubChem CID 17110594) has the molecular formula C21H13Cl3N2O3 and a molecular weight of 447.71 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
PubChem CID17110594
Molecular FormulaC21H13Cl3N2O3
Molecular Weight447.71 g/mol
Exact Mass446.00
IUPAC Name3,5-dichloro-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C21H13Cl3N2O3/c1-28-19-15(8-13(23)9-16(19)24)20(27)25-14-5-2-11(3-6-14)21-26-17-10-12(22)4-7-18(17)29-21/h2-10H,1H3,(H,25,27)
InChIKeyJSWMCPLVVPQOGV-UHFFFAOYSA-N
XLogP6.72
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.71
LogP ≤ 56.72
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-2-methoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
CID 4258037
3,5-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 17128466
N-[4-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3,5-dichloro-2-methoxybenzamide
CID 28866108
N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-3,5-dichloro-2-methoxybenzamide
CID 43913529
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 17110595
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 1049579
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,5-dichloro-2-methoxybenzamide
CID 17117177
2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095801
3,5-dichloro-N-[[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxybenzamide
CID 17314643
5-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 1367150
5-chloro-2-methoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 1367090

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide (CID 17110594) is 3,5-dichloro-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide is COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1.
What is the InChIKey of 3,5-dichloro-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide?
The InChIKey is JSWMCPLVVPQOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl3N2O3/c1-28-19-15(8-13(23)9-16(19)24)20(27)25-14-5-2-11(3-6-14)21-26-17-10-12(22)4-7-18(17)29-21/h2-10H,1H3,(H,25,27).
What are the key properties of 3,5-dichloro-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide?
3,5-dichloro-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide has a molecular weight of 447.71 g/mol, XLogP of 6.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 17110594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).