4-chloro-N-[(4-fluorophenyl)methyl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide

C24H18ClFN2O2 — CID 51070844

IUPAC4-chloro-N-[(4-fluorophenyl)methyl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESO=C(c1ccc(Cl)cc1)N(Cc1ccc(F)cc1)Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C24H18ClFN2O2/c25-20-10-8-19(9-11-20)24(29)28(15-17-6-12-21(26)13-7-17)16-22-14-23(30-27-22)18-4-2-1-3-5-18/h1-14H,15-16H2
InChIKeyCTWDAGRFDHIKIB-UHFFFAOYSA-N
MW420.87 g/mol
LogP5.98
Rot. Bonds6

About 4-chloro-N-[(4-fluorophenyl)methyl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide

4-chloro-N-[(4-fluorophenyl)methyl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide (PubChem CID 51070844) has the molecular formula C24H18ClFN2O2 and a molecular weight of 420.87 g/mol. Its IUPAC name is 4-chloro-N-[(4-fluorophenyl)methyl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(4-fluorophenyl)methyl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
PubChem CID51070844
Molecular FormulaC24H18ClFN2O2
Molecular Weight420.87 g/mol
Exact Mass420.10
IUPAC Name4-chloro-N-[(4-fluorophenyl)methyl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESO=C(c1ccc(Cl)cc1)N(Cc1ccc(F)cc1)Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C24H18ClFN2O2/c25-20-10-8-19(9-11-20)24(29)28(15-17-6-12-21(26)13-7-17)16-22-14-23(30-27-22)18-4-2-1-3-5-18/h1-14H,15-16H2
InChIKeyCTWDAGRFDHIKIB-UHFFFAOYSA-N
XLogP5.98
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.87
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[(4-fluorophenyl)methyl]-N-[(5-phenyl-1,2-oxazol-3-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

Related Compounds

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 39447049
4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866496
N-benzyl-4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070232
2-(4-fluorophenyl)-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]acetamide
CID 110314644
4-methyl-N-(2-methylpropyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 51070311
2-chloro-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide
CID 51070428
4-chloro-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide
CID 51070492
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-chlorobenzoate
CID 16869687
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070546
N-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide
CID 51070823
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)acetate
CID 16869611
N-(4-chlorophenyl)-2-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetamide
CID 8815901

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-fluorophenyl)methyl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide?
The IUPAC name of 4-chloro-N-[(4-fluorophenyl)methyl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide (CID 51070844) is 4-chloro-N-[(4-fluorophenyl)methyl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(4-fluorophenyl)methyl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-N-[(4-fluorophenyl)methyl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide is O=C(c1ccc(Cl)cc1)N(Cc1ccc(F)cc1)Cc1cc(-c2ccccc2)on1.
What is the InChIKey of 4-chloro-N-[(4-fluorophenyl)methyl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide?
The InChIKey is CTWDAGRFDHIKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN2O2/c25-20-10-8-19(9-11-20)24(29)28(15-17-6-12-21(26)13-7-17)16-22-14-23(30-27-22)18-4-2-1-3-5-18/h1-14H,15-16H2.
What are the key properties of 4-chloro-N-[(4-fluorophenyl)methyl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide?
4-chloro-N-[(4-fluorophenyl)methyl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide has a molecular weight of 420.87 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-fluorophenyl)methyl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide is sourced from PubChem (CID 51070844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).