N-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxamide

C15H14N2O2 — CID 146131108

IUPACN-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxamide
SMILESO=C(Nc1ccccc1)N1Cc2ccccc2CO1
InChIInChI=1S/C15H14N2O2/c18-15(16-14-8-2-1-3-9-14)17-10-12-6-4-5-7-13(12)11-19-17/h1-9H,10-11H2,(H,16,18)
InChIKeyPFHWGPFFFBPKLH-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.17
Rot. Bonds1

About N-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxamide

N-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxamide (PubChem CID 146131108) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxamide.

Molecular Properties

Compound NameN-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxamide
PubChem CID146131108
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC NameN-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxamide
SMILESO=C(Nc1ccccc1)N1Cc2ccccc2CO1
InChIInChI=1S/C15H14N2O2/c18-15(16-14-8-2-1-3-9-14)17-10-12-6-4-5-7-13(12)11-19-17/h1-9H,10-11H2,(H,16,18)
InChIKeyPFHWGPFFFBPKLH-UHFFFAOYSA-N
XLogP3.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxamide?
The IUPAC name of N-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxamide (CID 146131108) is N-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxamide.
What is the SMILES notation for N-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxamide?
The canonical SMILES for N-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxamide is O=C(Nc1ccccc1)N1Cc2ccccc2CO1.
What is the InChIKey of N-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxamide?
The InChIKey is PFHWGPFFFBPKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-15(16-14-8-2-1-3-9-14)17-10-12-6-4-5-7-13(12)11-19-17/h1-9H,10-11H2,(H,16,18).
What are the key properties of N-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxamide?
N-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxamide is sourced from PubChem (CID 146131108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).