6-[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]-4H-1,4-benzoxazin-3-one

C18H16Cl2N2O3 — CID 17407632

IUPAC6-[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]-4H-1,4-benzoxazin-3-one
SMILESCN(CC(=O)c1ccc2c(c1)NC(=O)CO2)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl2N2O3/c1-22(8-12-2-4-13(19)7-14(12)20)9-16(23)11-3-5-17-15(6-11)21-18(24)10-25-17/h2-7H,8-10H2,1H3,(H,21,24)
InChIKeyFTXWUOUWEVRHGX-UHFFFAOYSA-N
MW379.24 g/mol
LogP3.64
Rot. Bonds5

About 6-[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]-4H-1,4-benzoxazin-3-one

6-[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]-4H-1,4-benzoxazin-3-one (PubChem CID 17407632) has the molecular formula C18H16Cl2N2O3 and a molecular weight of 379.24 g/mol. Its IUPAC name is 6-[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]-4H-1,4-benzoxazin-3-one
PubChem CID17407632
Molecular FormulaC18H16Cl2N2O3
Molecular Weight379.24 g/mol
Exact Mass378.05
IUPAC Name6-[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]-4H-1,4-benzoxazin-3-one
SMILESCN(CC(=O)c1ccc2c(c1)NC(=O)CO2)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl2N2O3/c1-22(8-12-2-4-13(19)7-14(12)20)9-16(23)11-3-5-17-15(6-11)21-18(24)10-25-17/h2-7H,8-10H2,1H3,(H,21,24)
InChIKeyFTXWUOUWEVRHGX-UHFFFAOYSA-N
XLogP3.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

6-(2-aminoacetyl)-4H-1,4-benzoxazin-3-one
CID 68979581
6-(4-aminobutanoyl)-4H-1,4-benzoxazin-3-one
CID 82339476
6-(4,4-dimethylpentanoyl)-4H-1,4-benzoxazin-3-one
CID 114212567
2,5-dichloro-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]benzamide
CID 9233411
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 17463334
6-(3-bromopropanoyl)-4H-1,4-benzoxazin-3-one
CID 82136356
6-(2-aminooxyacetyl)-4H-1,4-benzoxazin-3-one
CID 83967692
N-(3-chlorophenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110344996
methyl 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanoate
CID 15035901
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-chlorobenzoate
CID 2409679
N-(4-chlorophenyl)-2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfonylacetamide
CID 23408145
6-[3-[di(propan-2-yl)amino]propanoyl]-4H-1,4-benzoxazin-3-one
CID 59028425

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]-4H-1,4-benzoxazin-3-one (CID 17407632) is 6-[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]-4H-1,4-benzoxazin-3-one is CN(CC(=O)c1ccc2c(c1)NC(=O)CO2)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 6-[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is FTXWUOUWEVRHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3/c1-22(8-12-2-4-13(19)7-14(12)20)9-16(23)11-3-5-17-15(6-11)21-18(24)10-25-17/h2-7H,8-10H2,1H3,(H,21,24).
What are the key properties of 6-[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]-4H-1,4-benzoxazin-3-one?
6-[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 379.24 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 17407632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).