N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]benzamide

C24H22N2O2 — CID 10595343

IUPACN-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1
InChIInChI=1S/C24H22N2O2/c27-23(19-10-2-1-3-11-19)25-21-15-13-20(14-16-21)24(28)26-17-7-6-9-18-8-4-5-12-22(18)26/h1-5,8,10-16H,6-7,9,17H2,(H,25,27)
InChIKeyBZOPIROJWLJILD-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.92
Rot. Bonds3

About N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]benzamide

N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]benzamide (PubChem CID 10595343) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]benzamide
PubChem CID10595343
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC NameN-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1
InChIInChI=1S/C24H22N2O2/c27-23(19-10-2-1-3-11-19)25-21-15-13-20(14-16-21)24(28)26-17-7-6-9-18-8-4-5-12-22(18)26/h1-5,8,10-16H,6-7,9,17H2,(H,25,27)
InChIKeyBZOPIROJWLJILD-UHFFFAOYSA-N
XLogP4.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]benzamide?
The IUPAC name of N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]benzamide (CID 10595343) is N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]benzamide is O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1.
What is the InChIKey of N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]benzamide?
The InChIKey is BZOPIROJWLJILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c27-23(19-10-2-1-3-11-19)25-21-15-13-20(14-16-21)24(28)26-17-7-6-9-18-8-4-5-12-22(18)26/h1-5,8,10-16H,6-7,9,17H2,(H,25,27).
What are the key properties of N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]benzamide?
N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]benzamide has a molecular weight of 370.45 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 10595343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).