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

C22H16Cl2N2O3 — CID 1144216

IUPAC2,4-dichloro-N-[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCOc1ccc(-c2nc3cc(C)ccc3o2)cc1NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H16Cl2N2O3/c1-12-3-7-20-17(9-12)26-22(29-20)13-4-8-19(28-2)18(10-13)25-21(27)15-6-5-14(23)11-16(15)24/h3-11H,1-2H3,(H,25,27)
InChIKeyVGAGZTFTAQWTQV-UHFFFAOYSA-N
MW427.29 g/mol
LogP6.37
Rot. Bonds4

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

2,4-dichloro-N-[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide (PubChem CID 1144216) has the molecular formula C22H16Cl2N2O3 and a molecular weight of 427.29 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
PubChem CID1144216
Molecular FormulaC22H16Cl2N2O3
Molecular Weight427.29 g/mol
Exact Mass426.05
IUPAC Name2,4-dichloro-N-[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCOc1ccc(-c2nc3cc(C)ccc3o2)cc1NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H16Cl2N2O3/c1-12-3-7-20-17(9-12)26-22(29-20)13-4-8-19(28-2)18(10-13)25-21(27)15-6-5-14(23)11-16(15)24/h3-11H,1-2H3,(H,25,27)
InChIKeyVGAGZTFTAQWTQV-UHFFFAOYSA-N
XLogP6.37
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.29
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-methoxybenzamide
CID 2284680
5-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 2298639
2-(4-chlorophenoxy)-N-[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 30307954
2,5-dichloro-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide
CID 39341655
2-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 23961409
2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-nitrobenzamide
CID 3323656
N-[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-nitrobenzamide
CID 46785895
2-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide
CID 21212625
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
CID 2271656
2-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide
CID 3629314
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide
CID 2995461
2-chloro-4-methyl-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 17176784

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide (CID 1144216) is 2,4-dichloro-N-[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide is COc1ccc(-c2nc3cc(C)ccc3o2)cc1NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The InChIKey is VGAGZTFTAQWTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O3/c1-12-3-7-20-17(9-12)26-22(29-20)13-4-8-19(28-2)18(10-13)25-21(27)15-6-5-14(23)11-16(15)24/h3-11H,1-2H3,(H,25,27).
What are the key properties of 2,4-dichloro-N-[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
2,4-dichloro-N-[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide has a molecular weight of 427.29 g/mol, XLogP of 6.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 1144216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).