2-[6-[2-(2-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(3-fluorophenyl)acetamide

C24H18ClFN2O5 — CID 46155446

IUPAC2-[6-[2-(2-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)COc2ccc(C(=O)COc3ccccc3Cl)cc21)Nc1cccc(F)c1
InChIInChI=1S/C24H18ClFN2O5/c25-18-6-1-2-7-21(18)32-13-20(29)15-8-9-22-19(10-15)28(24(31)14-33-22)12-23(30)27-17-5-3-4-16(26)11-17/h1-11H,12-14H2,(H,27,30)
InChIKeyFPQYXQXBTHHPHP-UHFFFAOYSA-N
MW468.87 g/mol
LogP4.10
Rot. Bonds7

About 2-[6-[2-(2-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(3-fluorophenyl)acetamide

2-[6-[2-(2-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 46155446) has the molecular formula C24H18ClFN2O5 and a molecular weight of 468.87 g/mol. Its IUPAC name is 2-[6-[2-(2-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[6-[2-(2-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(3-fluorophenyl)acetamide
PubChem CID46155446
Molecular FormulaC24H18ClFN2O5
Molecular Weight468.87 g/mol
Exact Mass468.09
IUPAC Name2-[6-[2-(2-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)COc2ccc(C(=O)COc3ccccc3Cl)cc21)Nc1cccc(F)c1
InChIInChI=1S/C24H18ClFN2O5/c25-18-6-1-2-7-21(18)32-13-20(29)15-8-9-22-19(10-15)28(24(31)14-33-22)12-23(30)27-17-5-3-4-16(26)11-17/h1-11H,12-14H2,(H,27,30)
InChIKeyFPQYXQXBTHHPHP-UHFFFAOYSA-N
XLogP4.10
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.87
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-[2-(2-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 42847011
5-[[6-[2-(2-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 46034282
2-[6-[2-(3-ethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(4-fluorophenyl)acetamide
CID 42847057
N-(3-fluorophenyl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 9072356
2-[6-[2-(4-chloro-2-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide
CID 42846646
2-[6-[2-(4-fluoro-2-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 46155152
4-[2-(dimethylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53085009
2-[6-[2-(2-chloro-5-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(cyclopropylmethyl)acetamide
CID 42846720
2-[6-[2-(3-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 93319674
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 954212
N-ethyl-2-[3-oxo-6-(2-phenoxyacetyl)-1,4-benzoxazin-4-yl]acetamide
CID 42847180
N-[4-(2-chlorophenoxy)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 24529854

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(2-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[6-[2-(2-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(3-fluorophenyl)acetamide (CID 46155446) is 2-[6-[2-(2-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[6-[2-(2-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[6-[2-(2-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(3-fluorophenyl)acetamide is O=C(CN1C(=O)COc2ccc(C(=O)COc3ccccc3Cl)cc21)Nc1cccc(F)c1.
What is the InChIKey of 2-[6-[2-(2-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is FPQYXQXBTHHPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN2O5/c25-18-6-1-2-7-21(18)32-13-20(29)15-8-9-22-19(10-15)28(24(31)14-33-22)12-23(30)27-17-5-3-4-16(26)11-17/h1-11H,12-14H2,(H,27,30).
What are the key properties of 2-[6-[2-(2-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(3-fluorophenyl)acetamide?
2-[6-[2-(2-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 468.87 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(2-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 46155446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).