2-(4-chloro-2-methylphenoxy)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide

C18H16Cl2N2O4 — CID 43064268

IUPAC2-(4-chloro-2-methylphenoxy)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2
InChIInChI=1S/C18H16Cl2N2O4/c1-9-5-11(19)3-4-15(9)26-10(2)18(24)22-13-7-16-14(6-12(13)20)21-17(23)8-25-16/h3-7,10H,8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyXIDFNHRACCOLMM-UHFFFAOYSA-N
MW395.24 g/mol
LogP4.04
Rot. Bonds4

About 2-(4-chloro-2-methylphenoxy)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide

2-(4-chloro-2-methylphenoxy)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide (PubChem CID 43064268) has the molecular formula C18H16Cl2N2O4 and a molecular weight of 395.24 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide
PubChem CID43064268
Molecular FormulaC18H16Cl2N2O4
Molecular Weight395.24 g/mol
Exact Mass394.05
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2
InChIInChI=1S/C18H16Cl2N2O4/c1-9-5-11(19)3-4-15(9)26-10(2)18(24)22-13-7-16-14(6-12(13)20)21-17(23)8-25-16/h3-7,10H,8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyXIDFNHRACCOLMM-UHFFFAOYSA-N
XLogP4.04
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide
CID 107903711
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 1371714
2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylbutanamide
CID 43705148
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 18076874
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(methylamino)acetamide
CID 43705165
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1222422
2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 2788084
N-(1,3-benzodioxol-5-yl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2862496
(2R)-2-(4-chloro-2-methylphenoxy)-N-(2-fluorophenyl)propanamide
CID 724043
2-(aminomethyl)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)pentanamide
CID 65224903
(2S)-2-(4-chloro-2-methylphenoxy)-N-(5-phenyl-1H-pyrazol-4-yl)propanamide
CID 97068218

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide (CID 43064268) is 2-(4-chloro-2-methylphenoxy)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide is Cc1cc(Cl)ccc1OC(C)C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide?
The InChIKey is XIDFNHRACCOLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O4/c1-9-5-11(19)3-4-15(9)26-10(2)18(24)22-13-7-16-14(6-12(13)20)21-17(23)8-25-16/h3-7,10H,8H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide?
2-(4-chloro-2-methylphenoxy)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide has a molecular weight of 395.24 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide is sourced from PubChem (CID 43064268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).