(4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone

C23H21NO — CID 67839485

IUPAC(4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCCCc2ccccc21
InChIInChI=1S/C23H21NO/c25-23(24-17-7-6-11-20-10-4-5-12-22(20)24)21-15-13-19(14-16-21)18-8-2-1-3-9-18/h1-5,8-10,12-16H,6-7,11,17H2
InChIKeyRIBXPGIEMRBUDS-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.34
Rot. Bonds2

About (4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone

(4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone (PubChem CID 67839485) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is (4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone.

Molecular Properties

Compound Name(4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
PubChem CID67839485
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name(4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCCCc2ccccc21
InChIInChI=1S/C23H21NO/c25-23(24-17-7-6-11-20-10-4-5-12-22(20)24)21-15-13-19(14-16-21)18-8-2-1-3-9-18/h1-5,8-10,12-16H,6-7,11,17H2
InChIKeyRIBXPGIEMRBUDS-UHFFFAOYSA-N
XLogP5.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-aminophenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 10587836
(4-pyrrol-1-ylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 10591515
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
[4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43333292
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
[4-(4-benzylanilino)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 171678806
3,4-dihydro-2H-quinolin-1-yl-[4-(methylsulfonylmethyl)phenyl]methanone
CID 26911087
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 121084310
2-(4-methylanilino)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide
CID 19608007
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
3-hydroxy-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]benzamide
CID 19607809
N,1-dimethyl-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 19607887

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
The IUPAC name of (4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone (CID 67839485) is (4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone.
What is the SMILES notation for (4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
The canonical SMILES for (4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCCCc2ccccc21.
What is the InChIKey of (4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
The InChIKey is RIBXPGIEMRBUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c25-23(24-17-7-6-11-20-10-4-5-12-22(20)24)21-15-13-19(14-16-21)18-8-2-1-3-9-18/h1-5,8-10,12-16H,6-7,11,17H2.
What are the key properties of (4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
(4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone has a molecular weight of 327.43 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone is sourced from PubChem (CID 67839485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).