N-(2-chloro-6-methylphenyl)-2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide

C23H20ClNO2 — CID 10068195

IUPACN-(2-chloro-6-methylphenyl)-2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide
SMILESCc1ccc2c(c1)C(C(=O)Nc1c(C)cccc1Cl)c1ccccc1CO2
InChIInChI=1S/C23H20ClNO2/c1-14-10-11-20-18(12-14)21(17-8-4-3-7-16(17)13-27-20)23(26)25-22-15(2)6-5-9-19(22)24/h3-12,21H,13H2,1-2H3,(H,25,26)
InChIKeyYIEYDHCYDXAIBL-UHFFFAOYSA-N
MW377.87 g/mol
LogP5.62
Rot. Bonds2

About N-(2-chloro-6-methylphenyl)-2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide

N-(2-chloro-6-methylphenyl)-2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide (PubChem CID 10068195) has the molecular formula C23H20ClNO2 and a molecular weight of 377.87 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide
PubChem CID10068195
Molecular FormulaC23H20ClNO2
Molecular Weight377.87 g/mol
Exact Mass377.12
IUPAC NameN-(2-chloro-6-methylphenyl)-2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide
SMILESCc1ccc2c(c1)C(C(=O)Nc1c(C)cccc1Cl)c1ccccc1CO2
InChIInChI=1S/C23H20ClNO2/c1-14-10-11-20-18(12-14)21(17-8-4-3-7-16(17)13-27-20)23(26)25-22-15(2)6-5-9-19(22)24/h3-12,21H,13H2,1-2H3,(H,25,26)
InChIKeyYIEYDHCYDXAIBL-UHFFFAOYSA-N
XLogP5.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.87
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-diethylphenyl)-2-methyl-
CID 3072806
Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-bis(1-methylethyl)phenyl)-2-methyl-
CID 3072807
Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-2-methyl-N-(2-(1-methylethyl)phenyl)-
CID 3072808
Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-bis(1-methylethyl)phenyl)-2-fluoro-
CID 3072809
Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-bis(1-methylethyl)phenyl)-2-chloro-
CID 3072810
Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-bis(1-methylethyl)phenyl)-2-(trifluoromethyl)-
CID 3072811
Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-bis(1-methylethyl)phenyl)-2-cyano-
CID 3072812
Dibenz(b,e)oxepin-2-carboxylic acid, 6,11-dihydro-11-(((2,6-bis(1-methylethyl)phenyl)amino)carbonyl)-, methyl ester
CID 3072813
Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-3-bromo-N-(2,6-dichlorophenyl)-
CID 3072815
N-(2,6-Dichlorophenyl)-6,11-dihydro-2-methyldibenz[b,e]-oxepin-11-carboxamide
CID 10023756
2-Isopropyl-6,11-dihydro-dibenzo[b,e]oxepine-11-carboxylic acid (2,6-diethyl-phenyl)-amide
CID 10024754
2-tert-Butyl-6,11-dihydro-dibenzo[b,e]oxepine-11-carboxylic acid (2,6-dimethyl-phenyl)-amide
CID 10069532

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide (CID 10068195) is N-(2-chloro-6-methylphenyl)-2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide is Cc1ccc2c(c1)C(C(=O)Nc1c(C)cccc1Cl)c1ccccc1CO2.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide?
The InChIKey is YIEYDHCYDXAIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO2/c1-14-10-11-20-18(12-14)21(17-8-4-3-7-16(17)13-27-20)23(26)25-22-15(2)6-5-9-19(22)24/h3-12,21H,13H2,1-2H3,(H,25,26).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide?
N-(2-chloro-6-methylphenyl)-2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide has a molecular weight of 377.87 g/mol, XLogP of 5.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide is sourced from PubChem (CID 10068195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).