2-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide

C22H16Cl2N2O2 — CID 3629314

IUPAC2-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2Cl)c(Cl)c1
InChIInChI=1S/C22H16Cl2N2O2/c1-12-3-6-15(17(24)9-12)21(27)25-19-11-14(5-7-16(19)23)22-26-18-8-4-13(2)10-20(18)28-22/h3-11H,1-2H3,(H,25,27)
InChIKeyGZIBBJHEGWEPTH-UHFFFAOYSA-N
MW411.29 g/mol
LogP6.67
Rot. Bonds3

About 2-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide

2-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide (PubChem CID 3629314) has the molecular formula C22H16Cl2N2O2 and a molecular weight of 411.29 g/mol. Its IUPAC name is 2-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide
PubChem CID3629314
Molecular FormulaC22H16Cl2N2O2
Molecular Weight411.29 g/mol
Exact Mass410.06
IUPAC Name2-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2Cl)c(Cl)c1
InChIInChI=1S/C22H16Cl2N2O2/c1-12-3-6-15(17(24)9-12)21(27)25-19-11-14(5-7-16(19)23)22-26-18-8-4-13(2)10-20(18)28-22/h3-11H,1-2H3,(H,25,27)
InChIKeyGZIBBJHEGWEPTH-UHFFFAOYSA-N
XLogP6.67
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.29
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-methyl-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 17176784
5-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 2298639
3-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide
CID 4518075
2-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 23961409
2-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide
CID 21212625
N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 1090032
N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide
CID 1361397
5-bromo-2-chloro-N-[2-chloro-5-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 2173612
5-chloro-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
CID 3916247
3,6-dichloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 3897060
N-[[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,4-dimethoxybenzamide
CID 17313815
2-chloro-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 16740412

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide?
The IUPAC name of 2-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide (CID 3629314) is 2-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide?
The InChIKey is GZIBBJHEGWEPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O2/c1-12-3-6-15(17(24)9-12)21(27)25-19-11-14(5-7-16(19)23)22-26-18-8-4-13(2)10-20(18)28-22/h3-11H,1-2H3,(H,25,27).
What are the key properties of 2-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide?
2-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide has a molecular weight of 411.29 g/mol, XLogP of 6.67, 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-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 3629314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).