N-(3-chlorophenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide

C18H15ClN2O4 — CID 110344996

IUPACN-(3-chlorophenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)NC(=O)CO2)Nc1cccc(Cl)c1
InChIInChI=1S/C18H15ClN2O4/c19-12-2-1-3-13(9-12)20-17(23)7-5-15(22)11-4-6-16-14(8-11)21-18(24)10-25-16/h1-4,6,8-9H,5,7,10H2,(H,20,23)(H,21,24)
InChIKeyFAZBMUXWJIGXLY-UHFFFAOYSA-N
MW358.78 g/mol
LogP3.27
Rot. Bonds5

About N-(3-chlorophenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide

N-(3-chlorophenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide (PubChem CID 110344996) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
PubChem CID110344996
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC NameN-(3-chlorophenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)NC(=O)CO2)Nc1cccc(Cl)c1
InChIInChI=1S/C18H15ClN2O4/c19-12-2-1-3-13(9-12)20-17(23)7-5-15(22)11-4-6-16-14(8-11)21-18(24)10-25-16/h1-4,6,8-9H,5,7,10H2,(H,20,23)(H,21,24)
InChIKeyFAZBMUXWJIGXLY-UHFFFAOYSA-N
XLogP3.27
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-chlorophenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide with MolForge

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Related Compounds

N-(3-methoxyphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110345004
N-(4-methylphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110344982
6-(3-bromopropanoyl)-4H-1,4-benzoxazin-3-one
CID 82136356
N-(4-chlorophenyl)-2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfonylacetamide
CID 23408145
methyl 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanoate
CID 15035901
4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 60637259
N-cyclopentyl-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110344917
4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(2-phenylethyl)butanamide
CID 110344950
2-[[4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanoyl]amino]butanoic acid
CID 82033923
3-(4-chlorophenyl)sulfanyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 51153528
6-(4,4-dimethylpentanoyl)-4H-1,4-benzoxazin-3-one
CID 114212567
6-(4-aminobutanoyl)-4H-1,4-benzoxazin-3-one
CID 82339476

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
The IUPAC name of N-(3-chlorophenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide (CID 110344996) is N-(3-chlorophenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
The canonical SMILES for N-(3-chlorophenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide is O=C(CCC(=O)c1ccc2c(c1)NC(=O)CO2)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
The InChIKey is FAZBMUXWJIGXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c19-12-2-1-3-13(9-12)20-17(23)7-5-15(22)11-4-6-16-14(8-11)21-18(24)10-25-16/h1-4,6,8-9H,5,7,10H2,(H,20,23)(H,21,24).
What are the key properties of N-(3-chlorophenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
N-(3-chlorophenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide has a molecular weight of 358.78 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide is sourced from PubChem (CID 110344996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).