7-phenyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C27H22N2O2 — CID 70854130

IUPAC7-phenyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)N1CCOc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C27H22N2O2/c30-27(28-24-14-8-7-13-23(24)21-11-5-2-6-12-21)29-17-18-31-26-19-22(15-16-25(26)29)20-9-3-1-4-10-20/h1-16,19H,17-18H2,(H,28,30)
InChIKeyFFNDHMHMIGFLHH-UHFFFAOYSA-N
MW406.49 g/mol
LogP6.45
Rot. Bonds3

About 7-phenyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide

7-phenyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 70854130) has the molecular formula C27H22N2O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 7-phenyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound Name7-phenyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID70854130
Molecular FormulaC27H22N2O2
Molecular Weight406.49 g/mol
Exact Mass406.17
IUPAC Name7-phenyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)N1CCOc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C27H22N2O2/c30-27(28-24-14-8-7-13-23(24)21-11-5-2-6-12-21)29-17-18-31-26-19-22(15-16-25(26)29)20-9-3-1-4-10-20/h1-16,19H,17-18H2,(H,28,30)
InChIKeyFFNDHMHMIGFLHH-UHFFFAOYSA-N
XLogP6.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(4-cyclohexylphenyl)-N-(2-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 70854032
4-[4-[4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-7-yl]benzoyl]cyclohexane-1-carboxylic acid
CID 58577951
2-[4-[5-[4-[(2-phenylphenyl)carbamoyl]-2,3-dihydro-1,4-benzoxazin-7-yl]hepta-1,3,5-trien-2-yl]cyclohexyl]acetic acid
CID 90711697
2-[4-[4-[4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-7-yl]phenyl]cyclohexyl]acetic acid
CID 58064355
2-[4-[4-[4-[(2-fluoro-5-methylphenyl)carbamoyl]-2,3-dihydro-1,4-benzoxazin-7-yl]phenyl]cyclohexyl]acetic acid
CID 58064682
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-N-(2-phenylphenyl)piperidine-1-carboxamide
CID 43815944
7-[4-[4-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-2-oxoethyl]cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 58064521
6-chloro-N-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521484
2-[4-[4-[4-[(4-aminophenyl)carbamoyl]-2,3-dihydro-1,4-benzoxazin-7-yl]phenyl]cyclohexyl]acetic acid
CID 58064434
N-(2-methoxyphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521365
6-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346084
7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 91608846

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of 7-phenyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 70854130) is 7-phenyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for 7-phenyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for 7-phenyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is O=C(Nc1ccccc1-c1ccccc1)N1CCOc2cc(-c3ccccc3)ccc21.
What is the InChIKey of 7-phenyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is FFNDHMHMIGFLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O2/c30-27(28-24-14-8-7-13-23(24)21-11-5-2-6-12-21)29-17-18-31-26-19-22(15-16-25(26)29)20-9-3-1-4-10-20/h1-16,19H,17-18H2,(H,28,30).
What are the key properties of 7-phenyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
7-phenyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 6.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 70854130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).