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

C23H16Cl2F2N2O2 — CID 46099541

IUPAC2,4-dichloro-N-[(2,5-difluorophenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide
SMILESCc1ccc2oc(CN(Cc3cc(F)ccc3F)C(=O)c3ccc(Cl)cc3Cl)nc2c1
InChIInChI=1S/C23H16Cl2F2N2O2/c1-13-2-7-21-20(8-13)28-22(31-21)12-29(11-14-9-16(26)4-6-19(14)27)23(30)17-5-3-15(24)10-18(17)25/h2-10H,11-12H2,1H3
InChIKeyFPBAYAZGJPXGAY-UHFFFAOYSA-N
MW461.30 g/mol
LogP6.56
Rot. Bonds5

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

2,4-dichloro-N-[(2,5-difluorophenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide (PubChem CID 46099541) has the molecular formula C23H16Cl2F2N2O2 and a molecular weight of 461.30 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2,5-difluorophenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2,5-difluorophenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide
PubChem CID46099541
Molecular FormulaC23H16Cl2F2N2O2
Molecular Weight461.30 g/mol
Exact Mass460.06
IUPAC Name2,4-dichloro-N-[(2,5-difluorophenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide
SMILESCc1ccc2oc(CN(Cc3cc(F)ccc3F)C(=O)c3ccc(Cl)cc3Cl)nc2c1
InChIInChI=1S/C23H16Cl2F2N2O2/c1-13-2-7-21-20(8-13)28-22(31-21)12-29(11-14-9-16(26)4-6-19(14)27)23(30)17-5-3-15(24)10-18(17)25/h2-10H,11-12H2,1H3
InChIKeyFPBAYAZGJPXGAY-UHFFFAOYSA-N
XLogP6.56
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.30
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-dichloro-N-[(2,5-difluorophenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2,5-difluorophenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(2,5-difluorophenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide (CID 46099541) is 2,4-dichloro-N-[(2,5-difluorophenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(2,5-difluorophenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(2,5-difluorophenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide is Cc1ccc2oc(CN(Cc3cc(F)ccc3F)C(=O)c3ccc(Cl)cc3Cl)nc2c1.
What is the InChIKey of 2,4-dichloro-N-[(2,5-difluorophenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide?
The InChIKey is FPBAYAZGJPXGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2F2N2O2/c1-13-2-7-21-20(8-13)28-22(31-21)12-29(11-14-9-16(26)4-6-19(14)27)23(30)17-5-3-15(24)10-18(17)25/h2-10H,11-12H2,1H3.
What are the key properties of 2,4-dichloro-N-[(2,5-difluorophenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide?
2,4-dichloro-N-[(2,5-difluorophenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide has a molecular weight of 461.30 g/mol, XLogP of 6.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2,5-difluorophenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide is sourced from PubChem (CID 46099541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).