(5R)-N-(4-chlorophenyl)-11-methyl-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide

C22H19ClN2O — CID 40527090

IUPAC(5R)-N-(4-chlorophenyl)-11-methyl-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide
SMILESCN1c2ccccc2C[C@@H](C(=O)Nc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C22H19ClN2O/c1-25-20-8-4-2-6-15(20)14-19(18-7-3-5-9-21(18)25)22(26)24-17-12-10-16(23)11-13-17/h2-13,19H,14H2,1H3,(H,24,26)/t19-/m1/s1
InChIKeyRVMLTWFGHJYFCR-LJQANCHMSA-N
MW362.86 g/mol
LogP5.39
Rot. Bonds2

About (5R)-N-(4-chlorophenyl)-11-methyl-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide

(5R)-N-(4-chlorophenyl)-11-methyl-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide (PubChem CID 40527090) has the molecular formula C22H19ClN2O and a molecular weight of 362.86 g/mol. Its IUPAC name is (5R)-N-(4-chlorophenyl)-11-methyl-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-(4-chlorophenyl)-11-methyl-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide
PubChem CID40527090
Molecular FormulaC22H19ClN2O
Molecular Weight362.86 g/mol
Exact Mass362.12
IUPAC Name(5R)-N-(4-chlorophenyl)-11-methyl-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide
SMILESCN1c2ccccc2C[C@@H](C(=O)Nc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C22H19ClN2O/c1-25-20-8-4-2-6-15(20)14-19(18-7-3-5-9-21(18)25)22(26)24-17-12-10-16(23)11-13-17/h2-13,19H,14H2,1H3,(H,24,26)/t19-/m1/s1
InChIKeyRVMLTWFGHJYFCR-LJQANCHMSA-N
XLogP5.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.86
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

11-methyl-N-(4-methylphenyl)-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide
CID 4197491
N-(4-chlorophenyl)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 143284729
(5S)-11-methyl-N-(3-nitrophenyl)-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide
CID 40527082
N-(3-chloro-4-methylphenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 110703047
N-(4-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396911
(4S)-N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51478917
N-(3-acetamidophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 110703069
N-(4-chloro-3-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66394969
N-[4-(1-aminoethyl)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66395901
1-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 110703022
N-[4-(2-aminoethoxy)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396655
N-(2-amino-5-chlorophenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66394332

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(4-chlorophenyl)-11-methyl-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide?
The IUPAC name of (5R)-N-(4-chlorophenyl)-11-methyl-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide (CID 40527090) is (5R)-N-(4-chlorophenyl)-11-methyl-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide.
What is the SMILES notation for (5R)-N-(4-chlorophenyl)-11-methyl-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide?
The canonical SMILES for (5R)-N-(4-chlorophenyl)-11-methyl-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide is CN1c2ccccc2C[C@@H](C(=O)Nc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of (5R)-N-(4-chlorophenyl)-11-methyl-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide?
The InChIKey is RVMLTWFGHJYFCR-LJQANCHMSA-N. The full InChI is InChI=1S/C22H19ClN2O/c1-25-20-8-4-2-6-15(20)14-19(18-7-3-5-9-21(18)25)22(26)24-17-12-10-16(23)11-13-17/h2-13,19H,14H2,1H3,(H,24,26)/t19-/m1/s1.
What are the key properties of (5R)-N-(4-chlorophenyl)-11-methyl-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide?
(5R)-N-(4-chlorophenyl)-11-methyl-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide has a molecular weight of 362.86 g/mol, XLogP of 5.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(4-chlorophenyl)-11-methyl-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide is sourced from PubChem (CID 40527090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).