6-chloro-N-(2,3-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C17H17ClN2O2 — CID 22521477

IUPAC6-chloro-N-(2,3-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCc1cccc(NC(=O)N2CCOc3ccc(Cl)cc32)c1C
InChIInChI=1S/C17H17ClN2O2/c1-11-4-3-5-14(12(11)2)19-17(21)20-8-9-22-16-7-6-13(18)10-15(16)20/h3-7,10H,8-9H2,1-2H3,(H,19,21)
InChIKeyQSJCCGXPCUEZQB-UHFFFAOYSA-N
MW316.79 g/mol
LogP4.39
Rot. Bonds1

About 6-chloro-N-(2,3-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide

6-chloro-N-(2,3-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 22521477) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 6-chloro-N-(2,3-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2,3-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID22521477
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name6-chloro-N-(2,3-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCc1cccc(NC(=O)N2CCOc3ccc(Cl)cc32)c1C
InChIInChI=1S/C17H17ClN2O2/c1-11-4-3-5-14(12(11)2)19-17(21)20-8-9-22-16-7-6-13(18)10-15(16)20/h3-7,10H,8-9H2,1-2H3,(H,19,21)
InChIKeyQSJCCGXPCUEZQB-UHFFFAOYSA-N
XLogP4.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521484
6-chloro-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521483
N-(2-methoxyphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521365
(2R)-7-chloro-N-(2,3-dimethylphenyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide
CID 93490966
6-chloro-N,N-diethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 110639469
(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-fluorophenyl)methanone
CID 110639427
1-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenoxyethanone
CID 110639446
4-acetyl-N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22519383
2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9435125
1-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-3-phenoxypropan-1-one
CID 110639448
4-(1,3-benzodioxol-5-yl)-N-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 113111952
benzyl 6-chloro-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 86287947

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,3-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of 6-chloro-N-(2,3-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 22521477) is 6-chloro-N-(2,3-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for 6-chloro-N-(2,3-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for 6-chloro-N-(2,3-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is Cc1cccc(NC(=O)N2CCOc3ccc(Cl)cc32)c1C.
What is the InChIKey of 6-chloro-N-(2,3-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is QSJCCGXPCUEZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-11-4-3-5-14(12(11)2)19-17(21)20-8-9-22-16-7-6-13(18)10-15(16)20/h3-7,10H,8-9H2,1-2H3,(H,19,21).
What are the key properties of 6-chloro-N-(2,3-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
6-chloro-N-(2,3-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 316.79 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,3-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 22521477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).