N-(3-chloro-4-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide

C19H19ClN2O4 — CID 23409886

IUPACN-(3-chloro-4-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCOc1ccc(NC(=O)C(C)N2C(=O)COc3ccc(C)cc32)cc1Cl
InChIInChI=1S/C19H19ClN2O4/c1-11-4-6-17-15(8-11)22(18(23)10-26-17)12(2)19(24)21-13-5-7-16(25-3)14(20)9-13/h4-9,12H,10H2,1-3H3,(H,21,24)
InChIKeyOLRZALGTKUGXIL-UHFFFAOYSA-N
MW374.82 g/mol
LogP3.41
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide

N-(3-chloro-4-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide (PubChem CID 23409886) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
PubChem CID23409886
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCOc1ccc(NC(=O)C(C)N2C(=O)COc3ccc(C)cc32)cc1Cl
InChIInChI=1S/C19H19ClN2O4/c1-11-4-6-17-15(8-11)22(18(23)10-26-17)12(2)19(24)21-13-5-7-16(25-3)14(20)9-13/h4-9,12H,10H2,1-3H3,(H,21,24)
InChIKeyOLRZALGTKUGXIL-UHFFFAOYSA-N
XLogP3.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 23409636
(2R)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methylphenyl)propanamide
CID 40978595
2-[6-[2-(2-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(4-methoxyphenyl)propanamide
CID 42846396
(2S)-2-(azocan-1-yl)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 9460496
N-(3-chloro-4-methoxyphenyl)-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39059094
N-[(2-ethoxyphenyl)methyl]-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 22427061
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430884
N-(3-chloro-4-methoxyphenyl)-4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023940
2-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 23409730
1-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethylphenyl)urea
CID 108991326
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2234263
N-(3-chloro-4-methoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2978487

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide (CID 23409886) is N-(3-chloro-4-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide is COc1ccc(NC(=O)C(C)N2C(=O)COc3ccc(C)cc32)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
The InChIKey is OLRZALGTKUGXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-11-4-6-17-15(8-11)22(18(23)10-26-17)12(2)19(24)21-13-5-7-16(25-3)14(20)9-13/h4-9,12H,10H2,1-3H3,(H,21,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
N-(3-chloro-4-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide has a molecular weight of 374.82 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide is sourced from PubChem (CID 23409886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).