N-(3-chlorophenyl)-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide

C22H17ClN2O3 — CID 70697416

IUPACN-(3-chlorophenyl)-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide
SMILESCN(C(=O)Cn1c(=O)oc2ccc(-c3ccccc3)cc21)c1cccc(Cl)c1
InChIInChI=1S/C22H17ClN2O3/c1-24(18-9-5-8-17(23)13-18)21(26)14-25-19-12-16(15-6-3-2-4-7-15)10-11-20(19)28-22(25)27/h2-13H,14H2,1H3
InChIKeySDKRVBWRTYSOMO-UHFFFAOYSA-N
MW392.84 g/mol
LogP4.58
Rot. Bonds4

About N-(3-chlorophenyl)-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide

N-(3-chlorophenyl)-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide (PubChem CID 70697416) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide
PubChem CID70697416
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC NameN-(3-chlorophenyl)-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide
SMILESCN(C(=O)Cn1c(=O)oc2ccc(-c3ccccc3)cc21)c1cccc(Cl)c1
InChIInChI=1S/C22H17ClN2O3/c1-24(18-9-5-8-17(23)13-18)21(26)14-25-19-12-16(15-6-3-2-4-7-15)10-11-20(19)28-22(25)27/h2-13H,14H2,1H3
InChIKeySDKRVBWRTYSOMO-UHFFFAOYSA-N
XLogP4.58
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(3-chlorophenyl)-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide 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

CID 25199437
CID 25199437
CID 70682775
CID 70682775
CID 70684858
CID 70684858
CID 70689087
CID 70689087
CID 70689088
CID 70689088
CID 70693298
CID 70693298
CID 70695396
CID 70695396
CID 70695397
CID 70695397
CID 70697418
CID 70697418
CID 162649991
CID 162649991
CID 3302526
CID 3302526
CID 4142440
CID 4142440

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide (CID 70697416) is N-(3-chlorophenyl)-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide is CN(C(=O)Cn1c(=O)oc2ccc(-c3ccccc3)cc21)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is SDKRVBWRTYSOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c1-24(18-9-5-8-17(23)13-18)21(26)14-25-19-12-16(15-6-3-2-4-7-15)10-11-20(19)28-22(25)27/h2-13H,14H2,1H3.
What are the key properties of N-(3-chlorophenyl)-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide?
N-(3-chlorophenyl)-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 392.84 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 70697416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).