2-(3-chloro-4-fluorophenoxy)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide

C18H16ClFN2O4 — CID 131908860

IUPAC2-(3-chloro-4-fluorophenoxy)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
SMILESCC1Oc2ccc(NC(=O)COc3ccc(F)c(Cl)c3)cc2N(C)C1=O
InChIInChI=1S/C18H16ClFN2O4/c1-10-18(24)22(2)15-7-11(3-6-16(15)26-10)21-17(23)9-25-12-4-5-14(20)13(19)8-12/h3-8,10H,9H2,1-2H3,(H,21,23)
InChIKeyKBKBAJLZIVRRPY-UHFFFAOYSA-N
MW378.79 g/mol
LogP3.24
Rot. Bonds4

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

2-(3-chloro-4-fluorophenoxy)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide (PubChem CID 131908860) has the molecular formula C18H16ClFN2O4 and a molecular weight of 378.79 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
PubChem CID131908860
Molecular FormulaC18H16ClFN2O4
Molecular Weight378.79 g/mol
Exact Mass378.08
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
SMILESCC1Oc2ccc(NC(=O)COc3ccc(F)c(Cl)c3)cc2N(C)C1=O
InChIInChI=1S/C18H16ClFN2O4/c1-10-18(24)22(2)15-7-11(3-6-16(15)26-10)21-17(23)9-25-12-4-5-14(20)13(19)8-12/h3-8,10H,9H2,1-2H3,(H,21,23)
InChIKeyKBKBAJLZIVRRPY-UHFFFAOYSA-N
XLogP3.24
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.79
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110778210
2-(3-chloro-4-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7751222
2-(3-chloro-4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 112778728
N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide
CID 924892
N-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
CID 42504871
2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 131895985
3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 9229534
N-[4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 134002141
4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzamide
CID 2559686
3-(benzenesulfonyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
CID 131889206
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(3-methylphenyl)propanamide
CID 110778200
2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-fluorophenyl)acetamide
CID 23409151

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide (CID 131908860) is 2-(3-chloro-4-fluorophenoxy)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide is CC1Oc2ccc(NC(=O)COc3ccc(F)c(Cl)c3)cc2N(C)C1=O.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
The InChIKey is KBKBAJLZIVRRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O4/c1-10-18(24)22(2)15-7-11(3-6-16(15)26-10)21-17(23)9-25-12-4-5-14(20)13(19)8-12/h3-8,10H,9H2,1-2H3,(H,21,23).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
2-(3-chloro-4-fluorophenoxy)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide has a molecular weight of 378.79 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide is sourced from PubChem (CID 131908860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).