2-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide

C19H21ClN2O3 — CID 53077894

IUPAC2-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CC2COc3ccc(Cl)cc3N2C)c1
InChIInChI=1S/C19H21ClN2O3/c1-22-15(12-25-18-7-6-14(20)9-17(18)22)10-19(23)21-11-13-4-3-5-16(8-13)24-2/h3-9,15H,10-12H2,1-2H3,(H,21,23)
InChIKeyILPXQYICYNJRCR-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.25
Rot. Bonds5

About 2-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide

2-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 53077894) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID53077894
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name2-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CC2COc3ccc(Cl)cc3N2C)c1
InChIInChI=1S/C19H21ClN2O3/c1-22-15(12-25-18-7-6-14(20)9-17(18)22)10-19(23)21-11-13-4-3-5-16(8-13)24-2/h3-9,15H,10-12H2,1-2H3,(H,21,23)
InChIKeyILPXQYICYNJRCR-UHFFFAOYSA-N
XLogP3.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(3-methoxyphenyl)methyl]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

(3S)-6-chloro-N-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9088165
2-[(3S)-4-benzyl-6-chloro-2,3-dihydro-1,4-benzoxazin-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 95055965
2-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-cycloheptylacetamide
CID 53034082
2-(2,4-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495803
N-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylacetamide
CID 61028976
2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 18074647
2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 53077827
2-(cyclopropylmethylamino)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119678219
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
(3R)-N-(2-methoxyethyl)-4-methyl-3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 95563571
3-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)propanoic acid
CID 84635818
N-[(3-methoxyphenyl)methyl]-2-piperidin-3-ylacetamide
CID 62691062

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide (CID 53077894) is 2-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)CC2COc3ccc(Cl)cc3N2C)c1.
What is the InChIKey of 2-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is ILPXQYICYNJRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-22-15(12-25-18-7-6-14(20)9-17(18)22)10-19(23)21-11-13-4-3-5-16(8-13)24-2/h3-9,15H,10-12H2,1-2H3,(H,21,23).
What are the key properties of 2-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide?
2-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 360.84 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 53077894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).