N-(2-chlorophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

C16H13ClN2O3 — CID 2993365

IUPACN-(2-chlorophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESO=C(CN1C(=O)COc2ccccc21)Nc1ccccc1Cl
InChIInChI=1S/C16H13ClN2O3/c17-11-5-1-2-6-12(11)18-15(20)9-19-13-7-3-4-8-14(13)22-10-16(19)21/h1-8H,9-10H2,(H,18,20)
InChIKeyXTYBIRQUSYHDQO-UHFFFAOYSA-N
MW316.74 g/mol
LogP2.70
Rot. Bonds3

About N-(2-chlorophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

N-(2-chlorophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 2993365) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID2993365
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC NameN-(2-chlorophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESO=C(CN1C(=O)COc2ccccc21)Nc1ccccc1Cl
InChIInChI=1S/C16H13ClN2O3/c17-11-5-1-2-6-12(11)18-15(20)9-19-13-7-3-4-8-14(13)22-10-16(19)21/h1-8H,9-10H2,(H,18,20)
InChIKeyXTYBIRQUSYHDQO-UHFFFAOYSA-N
XLogP2.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-chlorophenyl)-2-(3-oxo-1,4-benzoxazin-4-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

N-(2-chlorophenyl)-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 9032039
methyl 2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
CID 2992916
2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 18144949
N-[4-(2-chlorophenoxy)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 24529854
N-(2-chlorophenyl)-2-(2-oxo-3,4-dihydroquinoxalin-1-yl)acetamide
CID 94763882
2-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-thiophen-2-ylphenyl)acetamide
CID 16577576
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 25336533
N-(2-bromophenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3494008
N-(3-chloro-2-fluorophenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 30291298
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 26207996
N-(2-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 17034752
N-(4-tert-butylphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 8779827

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 2993365) is N-(2-chlorophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is O=C(CN1C(=O)COc2ccccc21)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is XTYBIRQUSYHDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c17-11-5-1-2-6-12(11)18-15(20)9-19-13-7-3-4-8-14(13)22-10-16(19)21/h1-8H,9-10H2,(H,18,20).
What are the key properties of N-(2-chlorophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-(2-chlorophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 316.74 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 2993365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).