N-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2-fluorobenzamide

C22H16ClFN2O2 — CID 46099550

IUPACN-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2-fluorobenzamide
SMILESO=C(c1ccccc1F)N(Cc1ccccc1)Cc1nc2cc(Cl)ccc2o1
InChIInChI=1S/C22H16ClFN2O2/c23-16-10-11-20-19(12-16)25-21(28-20)14-26(13-15-6-2-1-3-7-15)22(27)17-8-4-5-9-18(17)24/h1-12H,13-14H2
InChIKeyOKTMBNMSVDZUJY-UHFFFAOYSA-N
MW394.83 g/mol
LogP5.46
Rot. Bonds5

About N-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2-fluorobenzamide

N-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2-fluorobenzamide (PubChem CID 46099550) has the molecular formula C22H16ClFN2O2 and a molecular weight of 394.83 g/mol. Its IUPAC name is N-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2-fluorobenzamide
PubChem CID46099550
Molecular FormulaC22H16ClFN2O2
Molecular Weight394.83 g/mol
Exact Mass394.09
IUPAC NameN-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2-fluorobenzamide
SMILESO=C(c1ccccc1F)N(Cc1ccccc1)Cc1nc2cc(Cl)ccc2o1
InChIInChI=1S/C22H16ClFN2O2/c23-16-10-11-20-19(12-16)25-21(28-20)14-26(13-15-6-2-1-3-7-15)22(27)17-8-4-5-9-18(17)24/h1-12H,13-14H2
InChIKeyOKTMBNMSVDZUJY-UHFFFAOYSA-N
XLogP5.46
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.83
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2-fluorobenzamide 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 N-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2-fluorobenzamide?
The IUPAC name of N-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2-fluorobenzamide (CID 46099550) is N-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2-fluorobenzamide.
What is the SMILES notation for N-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2-fluorobenzamide?
The canonical SMILES for N-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2-fluorobenzamide is O=C(c1ccccc1F)N(Cc1ccccc1)Cc1nc2cc(Cl)ccc2o1.
What is the InChIKey of N-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2-fluorobenzamide?
The InChIKey is OKTMBNMSVDZUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2O2/c23-16-10-11-20-19(12-16)25-21(28-20)14-26(13-15-6-2-1-3-7-15)22(27)17-8-4-5-9-18(17)24/h1-12H,13-14H2.
What are the key properties of N-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2-fluorobenzamide?
N-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2-fluorobenzamide has a molecular weight of 394.83 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 46099550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).