2-(6-chloro-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-phenylethyl)acetamide

C18H17ClN2O3 — CID 20881750

IUPAC2-(6-chloro-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CC1Oc2ccc(Cl)cc2NC1=O)c1ccccc1
InChIInChI=1S/C18H17ClN2O3/c1-11(12-5-3-2-4-6-12)20-17(22)10-16-18(23)21-14-9-13(19)7-8-15(14)24-16/h2-9,11,16H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyPTBZIVDPCLZYJE-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.31
Rot. Bonds4

About 2-(6-chloro-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-phenylethyl)acetamide

2-(6-chloro-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-phenylethyl)acetamide (PubChem CID 20881750) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-phenylethyl)acetamide
PubChem CID20881750
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name2-(6-chloro-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CC1Oc2ccc(Cl)cc2NC1=O)c1ccccc1
InChIInChI=1S/C18H17ClN2O3/c1-11(12-5-3-2-4-6-12)20-17(22)10-16-18(23)21-14-9-13(19)7-8-15(14)24-16/h2-9,11,16H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyPTBZIVDPCLZYJE-UHFFFAOYSA-N
XLogP3.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(6-chloro-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-phenylethyl)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

2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 9032844
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9185599
2-[(2R)-6-chloro-3-oxo-4H-1,4-benzoxazin-2-yl]acetic acid
CID 40507985
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 39948835
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 39948836
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9482274
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9369134
2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 40642850
2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 40791931
methyl (2R)-3-hydroxy-2-[[2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]amino]propanoate
CID 9278062
methyl (2S)-3-hydroxy-2-[[2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]amino]propanoate
CID 9278063
2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 699845

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-phenylethyl)acetamide (CID 20881750) is 2-(6-chloro-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-phenylethyl)acetamide is CC(NC(=O)CC1Oc2ccc(Cl)cc2NC1=O)c1ccccc1.
What is the InChIKey of 2-(6-chloro-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is PTBZIVDPCLZYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-11(12-5-3-2-4-6-12)20-17(22)10-16-18(23)21-14-9-13(19)7-8-15(14)24-16/h2-9,11,16H,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-(6-chloro-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-phenylethyl)acetamide?
2-(6-chloro-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 344.80 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 20881750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).