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

C21H13Cl3N2O2 — CID 2294657

IUPAC2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c(Cl)c1
InChIInChI=1S/C21H13Cl3N2O2/c1-11-2-5-14(16(23)8-11)20(27)25-13-4-7-19-18(10-13)26-21(28-19)15-6-3-12(22)9-17(15)24/h2-10H,1H3,(H,25,27)
InChIKeyJGTKKMSBBRJTAI-UHFFFAOYSA-N
MW431.71 g/mol
LogP7.02
Rot. Bonds3

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

2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methylbenzamide (PubChem CID 2294657) has the molecular formula C21H13Cl3N2O2 and a molecular weight of 431.71 g/mol. Its IUPAC name is 2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methylbenzamide
PubChem CID2294657
Molecular FormulaC21H13Cl3N2O2
Molecular Weight431.71 g/mol
Exact Mass430.00
IUPAC Name2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c(Cl)c1
InChIInChI=1S/C21H13Cl3N2O2/c1-11-2-5-14(16(23)8-11)20(27)25-13-4-7-19-18(10-13)26-21(28-19)15-6-3-12(22)9-17(15)24/h2-10H,1H3,(H,25,27)
InChIKeyJGTKKMSBBRJTAI-UHFFFAOYSA-N
XLogP7.02
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.71
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 880527
N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 1049602
2-chloro-4-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23771066
2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide
CID 23739200
2,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1085270
2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4623545
2,4-dichloro-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127512
5-bromo-2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23821250
N-[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 17110986
2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126393
5-(2,4-dichlorophenyl)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 135609226
2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095801

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methylbenzamide?
The IUPAC name of 2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methylbenzamide (CID 2294657) is 2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methylbenzamide?
The InChIKey is JGTKKMSBBRJTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl3N2O2/c1-11-2-5-14(16(23)8-11)20(27)25-13-4-7-19-18(10-13)26-21(28-19)15-6-3-12(22)9-17(15)24/h2-10H,1H3,(H,25,27).
What are the key properties of 2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methylbenzamide?
2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methylbenzamide has a molecular weight of 431.71 g/mol, XLogP of 7.02, 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-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methylbenzamide is sourced from PubChem (CID 2294657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).