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

C20H11Cl3N2O2 — CID 3095801

IUPAC2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESO=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H11Cl3N2O2/c21-12-3-1-11(2-4-12)20-25-17-10-14(6-8-18(17)27-20)24-19(26)15-9-13(22)5-7-16(15)23/h1-10H,(H,24,26)
InChIKeyKZTZRFJDYSHOBM-UHFFFAOYSA-N
MW417.68 g/mol
LogP6.71
Rot. Bonds3

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

2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide (PubChem CID 3095801) has the molecular formula C20H11Cl3N2O2 and a molecular weight of 417.68 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
PubChem CID3095801
Molecular FormulaC20H11Cl3N2O2
Molecular Weight417.68 g/mol
Exact Mass415.99
IUPAC Name2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESO=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H11Cl3N2O2/c21-12-3-1-11(2-4-12)20-25-17-10-14(6-8-18(17)27-20)24-19(26)15-9-13(22)5-7-16(15)23/h1-10H,(H,24,26)
InChIKeyKZTZRFJDYSHOBM-UHFFFAOYSA-N
XLogP6.71
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.68
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide 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

2,5-dichloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095805
2-chloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide
CID 3112274
2,5-dichloro-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126552
5-bromo-2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23821250
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-phenyl-1,3-benzoxazol-5-yl)benzamide
CID 1108422
2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide
CID 23739200
3,4-dichloro-N-[4-[5-[(3,4-dichlorobenzoyl)amino]-1,3-benzoxazol-2-yl]phenyl]benzamide
CID 53356242
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-fluorobenzamide
CID 2275789
5-chloro-2-methoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 1367090
3,5-dichloro-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 17110594

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The IUPAC name of 2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide (CID 3095801) is 2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide is O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The InChIKey is KZTZRFJDYSHOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl3N2O2/c21-12-3-1-11(2-4-12)20-25-17-10-14(6-8-18(17)27-20)24-19(26)15-9-13(22)5-7-16(15)23/h1-10H,(H,24,26).
What are the key properties of 2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide?
2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide has a molecular weight of 417.68 g/mol, XLogP of 6.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 3095801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).