4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-fluoro-N-methylbenzamide

C22H25FN2O — CID 69447299

IUPAC4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc3c(c2)CCN(C2CCC2)CC3)c(F)c1
InChIInChI=1S/C22H25FN2O/c1-24-22(26)18-7-8-20(21(23)14-18)17-6-5-15-9-11-25(19-3-2-4-19)12-10-16(15)13-17/h5-8,13-14,19H,2-4,9-12H2,1H3,(H,24,26)
InChIKeyTWPPNYKNKVROQO-UHFFFAOYSA-N
MW352.45 g/mol
LogP3.81
Rot. Bonds3

About 4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-fluoro-N-methylbenzamide

4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-fluoro-N-methylbenzamide (PubChem CID 69447299) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is 4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-fluoro-N-methylbenzamide
PubChem CID69447299
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc3c(c2)CCN(C2CCC2)CC3)c(F)c1
InChIInChI=1S/C22H25FN2O/c1-24-22(26)18-7-8-20(21(23)14-18)17-6-5-15-9-11-25(19-3-2-4-19)12-10-16(15)13-17/h5-8,13-14,19H,2-4,9-12H2,1H3,(H,24,26)
InChIKeyTWPPNYKNKVROQO-UHFFFAOYSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-methylbenzamide
CID 58940727
3-cyclobutyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
CID 67161575
4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(fluoromethyl)benzamide
CID 91037243
3-fluoro-N-methyl-4-[1-oxo-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-3,4-dihydroisoquinolin-6-yl]benzamide
CID 57438758
methyl 4-[2-(1-cyclobutylpyrrolidin-3-yl)-1-oxo-3,4-dihydroisoquinolin-6-yl]-3-fluorobenzoate
CID 68732666
N-butyl-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
CID 67547921
4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-N,3-dimethylbenzamide
CID 58199254
4-[2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-3-fluoro-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 25222651
6-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridine-3-carboxamide
CID 10428924
4-[2-(1-cyclobutylpyrrolidin-3-yl)-1-oxo-3,4-dihydroisoquinolin-6-yl]-3-fluoro-N-(2-propan-2-yloxyethyl)benzamide
CID 57479844
4-[2-[(3R)-1-cyclobutylpyrrolidin-3-yl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-3-fluoro-N-(2-propan-2-yloxyethyl)benzamide
CID 68731163
6-[4-(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 58940703

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-fluoro-N-methylbenzamide?
The IUPAC name of 4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-fluoro-N-methylbenzamide (CID 69447299) is 4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-fluoro-N-methylbenzamide.
What is the SMILES notation for 4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-fluoro-N-methylbenzamide?
The canonical SMILES for 4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-fluoro-N-methylbenzamide is CNC(=O)c1ccc(-c2ccc3c(c2)CCN(C2CCC2)CC3)c(F)c1.
What is the InChIKey of 4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-fluoro-N-methylbenzamide?
The InChIKey is TWPPNYKNKVROQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c1-24-22(26)18-7-8-20(21(23)14-18)17-6-5-15-9-11-25(19-3-2-4-19)12-10-16(15)13-17/h5-8,13-14,19H,2-4,9-12H2,1H3,(H,24,26).
What are the key properties of 4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-fluoro-N-methylbenzamide?
4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-fluoro-N-methylbenzamide has a molecular weight of 352.45 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 69447299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).