N-[(2-fluorophenyl)methyl]-N,2,6-trimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide

C19H19FN2O3 — CID 75768506

IUPACN-[(2-fluorophenyl)methyl]-N,2,6-trimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
SMILESCc1ccc2c(c1)NC(=O)C(C)(C(=O)N(C)Cc1ccccc1F)O2
InChIInChI=1S/C19H19FN2O3/c1-12-8-9-16-15(10-12)21-17(23)19(2,25-16)18(24)22(3)11-13-6-4-5-7-14(13)20/h4-10H,11H2,1-3H3,(H,21,23)
InChIKeyBYHPXVGXUDAZNQ-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.88
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-N,2,6-trimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide

N-[(2-fluorophenyl)methyl]-N,2,6-trimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (PubChem CID 75768506) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N,2,6-trimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N,2,6-trimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
PubChem CID75768506
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-[(2-fluorophenyl)methyl]-N,2,6-trimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
SMILESCc1ccc2c(c1)NC(=O)C(C)(C(=O)N(C)Cc1ccccc1F)O2
InChIInChI=1S/C19H19FN2O3/c1-12-8-9-16-15(10-12)21-17(23)19(2,25-16)18(24)22(3)11-13-6-4-5-7-14(13)20/h4-10H,11H2,1-3H3,(H,21,23)
InChIKeyBYHPXVGXUDAZNQ-UHFFFAOYSA-N
XLogP2.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methyl]-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75768490
6-chloro-2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 75796387
N-(3-chloro-4-fluorophenyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75769466
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
3,5-difluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78769060
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
N-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
CID 115184122
3-cyano-N-[(2-fluorophenyl)methyl]-N-methyloxetane-3-carboxamide
CID 115184778
N-(1-ethylbenzimidazol-2-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75796156
1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)ethanone
CID 43337245
2,6-dimethyl-2-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 75768569
2-(2-fluorophenyl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100636989

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N,2,6-trimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N,2,6-trimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (CID 75768506) is N-[(2-fluorophenyl)methyl]-N,2,6-trimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N,2,6-trimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N,2,6-trimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide is Cc1ccc2c(c1)NC(=O)C(C)(C(=O)N(C)Cc1ccccc1F)O2.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N,2,6-trimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The InChIKey is BYHPXVGXUDAZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-12-8-9-16-15(10-12)21-17(23)19(2,25-16)18(24)22(3)11-13-6-4-5-7-14(13)20/h4-10H,11H2,1-3H3,(H,21,23).
What are the key properties of N-[(2-fluorophenyl)methyl]-N,2,6-trimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
N-[(2-fluorophenyl)methyl]-N,2,6-trimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N,2,6-trimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 75768506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).