7-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

C15H14N2O2 — CID 167040387

IUPAC7-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESNC(=O)C1CNc2ccc(-c3ccccc3)cc2O1
InChIInChI=1S/C15H14N2O2/c16-15(18)14-9-17-12-7-6-11(8-13(12)19-14)10-4-2-1-3-5-10/h1-8,14,17H,9H2,(H2,16,18)
InChIKeyPJTDCCBXJSTAPR-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.01
Rot. Bonds2

About 7-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

7-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 167040387) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 7-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name7-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID167040387
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name7-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESNC(=O)C1CNc2ccc(-c3ccccc3)cc2O1
InChIInChI=1S/C15H14N2O2/c16-15(18)14-9-17-12-7-6-11(8-13(12)19-14)10-4-2-1-3-5-10/h1-8,14,17H,9H2,(H2,16,18)
InChIKeyPJTDCCBXJSTAPR-UHFFFAOYSA-N
XLogP2.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-(3,4-dihydro-2H-1,4-benzoxazine-2-carbonylamino)-4-oxobutanoic acid
CID 61157734
(2S)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 7020375
methyl (2R)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 2090947
1-(3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl)pyrrolidine-2-carboxamide
CID 43212175
7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
CID 51063816
2-[3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl(methyl)amino]acetic acid
CID 61158959
3,4-dihydro-2H-1,4-benzoxazin-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220579
N-(3-amino-3-oxopropyl)-N-benzyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 113224406
1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-4-phenylbutan-1-one
CID 116550220
ethyl 7-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 18788380
N-benzyl-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 24690489
N-cyclopentyloxy-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 83235668

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of 7-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 167040387) is 7-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for 7-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for 7-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is NC(=O)C1CNc2ccc(-c3ccccc3)cc2O1.
What is the InChIKey of 7-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is PJTDCCBXJSTAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c16-15(18)14-9-17-12-7-6-11(8-13(12)19-14)10-4-2-1-3-5-10/h1-8,14,17H,9H2,(H2,16,18).
What are the key properties of 7-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
7-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 167040387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).