4-tert-butyl-N-(8-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide

C21H25FN2O — CID 146200111

IUPAC4-tert-butyl-N-(8-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc3c(cc2F)NCCCC3)cc1
InChIInChI=1S/C21H25FN2O/c1-21(2,3)16-9-7-14(8-10-16)20(25)24-19-12-15-6-4-5-11-23-18(15)13-17(19)22/h7-10,12-13,23H,4-6,11H2,1-3H3,(H,24,25)
InChIKeyARJBVUCLCLEUCU-UHFFFAOYSA-N
MW340.44 g/mol
LogP5.12
Rot. Bonds2

About 4-tert-butyl-N-(8-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide

4-tert-butyl-N-(8-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide (PubChem CID 146200111) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is 4-tert-butyl-N-(8-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(8-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide
PubChem CID146200111
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name4-tert-butyl-N-(8-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc3c(cc2F)NCCCC3)cc1
InChIInChI=1S/C21H25FN2O/c1-21(2,3)16-9-7-14(8-10-16)20(25)24-19-12-15-6-4-5-11-23-18(15)13-17(19)22/h7-10,12-13,23H,4-6,11H2,1-3H3,(H,24,25)
InChIKeyARJBVUCLCLEUCU-UHFFFAOYSA-N
XLogP5.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.44
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-N-(8-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[7-[(4-tert-butylbenzoyl)amino]-2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl] acetate
CID 146200094
4-tert-butyl-N-[3-fluoro-5-[(3-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]benzamide
CID 146200106
4-tert-butyl-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 1122084
4-(1-hydroxycyclobutyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide
CID 146200157
3-(4-tert-butylphenyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propanamide
CID 146200144
4-tert-butyl-N-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 164614809
N-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325639
8-tert-butyl-2,3,4,5-tetrahydro-1H-1-benzazepine;ethane
CID 176701513
N-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43438489
4-tert-butyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)benzamide
CID 140896281
4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide
CID 10500600
3,4-difluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63928507

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(8-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(8-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide (CID 146200111) is 4-tert-butyl-N-(8-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(8-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(8-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2cc3c(cc2F)NCCCC3)cc1.
What is the InChIKey of 4-tert-butyl-N-(8-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide?
The InChIKey is ARJBVUCLCLEUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-21(2,3)16-9-7-14(8-10-16)20(25)24-19-12-15-6-4-5-11-23-18(15)13-17(19)22/h7-10,12-13,23H,4-6,11H2,1-3H3,(H,24,25).
What are the key properties of 4-tert-butyl-N-(8-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide?
4-tert-butyl-N-(8-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide has a molecular weight of 340.44 g/mol, XLogP of 5.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(8-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide is sourced from PubChem (CID 146200111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).