N-(2-chlorophenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide

C18H17ClN2O3 — CID 75769516

IUPACN-(2-chlorophenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
SMILESCc1ccc2c(c1)N(C)C(=O)C(C)(C(=O)Nc1ccccc1Cl)O2
InChIInChI=1S/C18H17ClN2O3/c1-11-8-9-15-14(10-11)21(3)17(23)18(2,24-15)16(22)20-13-7-5-4-6-12(13)19/h4-10H,1-3H3,(H,20,22)
InChIKeyMMBNUUJWEIWBHD-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.40
Rot. Bonds2

About N-(2-chlorophenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide

N-(2-chlorophenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide (PubChem CID 75769516) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
PubChem CID75769516
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC NameN-(2-chlorophenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
SMILESCc1ccc2c(c1)N(C)C(=O)C(C)(C(=O)Nc1ccccc1Cl)O2
InChIInChI=1S/C18H17ClN2O3/c1-11-8-9-15-14(10-11)21(3)17(23)18(2,24-15)16(22)20-13-7-5-4-6-12(13)19/h4-10H,1-3H3,(H,20,22)
InChIKeyMMBNUUJWEIWBHD-UHFFFAOYSA-N
XLogP3.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-chlorophenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethylphenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768603
N-(3-fluorophenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768599
2,4,6-trimethyl-3-oxo-N-propyl-1,4-benzoxazine-2-carboxamide
CID 75768632
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75769892
methyl 1,3-dimethyl-4-[(2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carbonyl)amino]pyrazole-5-carboxylate
CID 75769565
2,4,6-trimethyl-2-(piperidine-1-carbonyl)-1,4-benzoxazin-3-one
CID 75768668
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75769893
2,4,6-trimethyl-N-[3-(morpholin-4-ylmethyl)phenyl]-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768711
N-[(3-methoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768727
2,4,6-trimethyl-3-oxo-N-(oxolan-2-ylmethyl)-1,4-benzoxazine-2-carboxamide
CID 75768641
N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75769555
(2S)-2,4-dimethyl-N-(2-methylphenyl)-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102450

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide (CID 75769516) is N-(2-chlorophenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide is Cc1ccc2c(c1)N(C)C(=O)C(C)(C(=O)Nc1ccccc1Cl)O2.
What is the InChIKey of N-(2-chlorophenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide?
The InChIKey is MMBNUUJWEIWBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-11-8-9-15-14(10-11)21(3)17(23)18(2,24-15)16(22)20-13-7-5-4-6-12(13)19/h4-10H,1-3H3,(H,20,22).
What are the key properties of N-(2-chlorophenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide?
N-(2-chlorophenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 75769516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).