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

C16H15ClN2O2 — CID 22521483

IUPAC6-chloro-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCc1ccc(NC(=O)N2CCOc3ccc(Cl)cc32)cc1
InChIInChI=1S/C16H15ClN2O2/c1-11-2-5-13(6-3-11)18-16(20)19-8-9-21-15-7-4-12(17)10-14(15)19/h2-7,10H,8-9H2,1H3,(H,18,20)
InChIKeyWFPZLMCGVPBURX-UHFFFAOYSA-N
MW302.76 g/mol
LogP4.08
Rot. Bonds1

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

6-chloro-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 22521483) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 6-chloro-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID22521483
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name6-chloro-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCc1ccc(NC(=O)N2CCOc3ccc(Cl)cc32)cc1
InChIInChI=1S/C16H15ClN2O2/c1-11-2-5-13(6-3-11)18-16(20)19-8-9-21-15-7-4-12(17)10-14(15)19/h2-7,10H,8-9H2,1H3,(H,18,20)
InChIKeyWFPZLMCGVPBURX-UHFFFAOYSA-N
XLogP4.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of 6-chloro-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 22521483) is 6-chloro-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for 6-chloro-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is Cc1ccc(NC(=O)N2CCOc3ccc(Cl)cc32)cc1.
What is the InChIKey of 6-chloro-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is WFPZLMCGVPBURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-11-2-5-13(6-3-11)18-16(20)19-8-9-21-15-7-4-12(17)10-14(15)19/h2-7,10H,8-9H2,1H3,(H,18,20).
What are the key properties of 6-chloro-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
6-chloro-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 302.76 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 22521483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).