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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Related Compounds

N-(2,6-dichlorophenyl)-2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide
CID 10023756
(11R)-2-bromo-N-[2,6-di(propan-2-yl)phenyl]-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide
CID 10648325
(11S)-2-methoxy-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxylic acid
CID 129362599
(11S)-2-propan-2-yl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxylic acid
CID 129362319
4-bromo-N-[2,6-di(propan-2-yl)phenyl]-2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide
CID 10051326
4-bromo-2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxylic acid
CID 10382142
N-[(11S)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]acetamide
CID 125463978
N-(4-anilinophenyl)-9H-xanthene-9-carboxamide
CID 4104080
(2S)-6-methyl-N-phenyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 25399675
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide
CID 18773522
N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946523
1-N-(2,4-dimethylphenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140799

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).