2-methyl-N-phenyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide

C22H19NO2 — CID 10336688

IUPAC2-methyl-N-phenyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide
SMILESCc1ccc2c(c1)C(C(=O)Nc1ccccc1)c1ccccc1CO2
InChIInChI=1S/C22H19NO2/c1-15-11-12-20-19(13-15)21(18-10-6-5-7-16(18)14-25-20)22(24)23-17-8-3-2-4-9-17/h2-13,21H,14H2,1H3,(H,23,24)
InChIKeyOVPMCGUXQFSWHH-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.66
Rot. Bonds2

About 2-methyl-N-phenyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide

2-methyl-N-phenyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide (PubChem CID 10336688) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-methyl-N-phenyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide.

Molecular Properties

Compound Name2-methyl-N-phenyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide
PubChem CID10336688
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name2-methyl-N-phenyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide
SMILESCc1ccc2c(c1)C(C(=O)Nc1ccccc1)c1ccccc1CO2
InChIInChI=1S/C22H19NO2/c1-15-11-12-20-19(13-15)21(18-10-6-5-7-16(18)14-25-20)22(24)23-17-8-3-2-4-9-17/h2-13,21H,14H2,1H3,(H,23,24)
InChIKeyOVPMCGUXQFSWHH-UHFFFAOYSA-N
XLogP4.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide?
The IUPAC name of 2-methyl-N-phenyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide (CID 10336688) is 2-methyl-N-phenyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide.
What is the SMILES notation for 2-methyl-N-phenyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide?
The canonical SMILES for 2-methyl-N-phenyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide is Cc1ccc2c(c1)C(C(=O)Nc1ccccc1)c1ccccc1CO2.
What is the InChIKey of 2-methyl-N-phenyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide?
The InChIKey is OVPMCGUXQFSWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-15-11-12-20-19(13-15)21(18-10-6-5-7-16(18)14-25-20)22(24)23-17-8-3-2-4-9-17/h2-13,21H,14H2,1H3,(H,23,24).
What are the key properties of 2-methyl-N-phenyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide?
2-methyl-N-phenyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide is sourced from PubChem (CID 10336688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).