4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(fluoromethyl)benzamide

C22H25FN2O — CID 91037243

IUPAC4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(fluoromethyl)benzamide
SMILESNC(=O)c1ccc(-c2ccc3c(c2)CCN(C2CCC2)CC3)c(CF)c1
InChIInChI=1S/C22H25FN2O/c23-14-19-13-18(22(24)26)6-7-21(19)17-5-4-15-8-10-25(20-2-1-3-20)11-9-16(15)12-17/h4-7,12-13,20H,1-3,8-11,14H2,(H2,24,26)
InChIKeyUYBKDXOIFKYKIZ-UHFFFAOYSA-N
MW352.45 g/mol
LogP3.88
Rot. Bonds4

About 4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(fluoromethyl)benzamide

4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(fluoromethyl)benzamide (PubChem CID 91037243) 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-(fluoromethyl)benzamide.

Molecular Properties

Compound Name4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(fluoromethyl)benzamide
PubChem CID91037243
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(fluoromethyl)benzamide
SMILESNC(=O)c1ccc(-c2ccc3c(c2)CCN(C2CCC2)CC3)c(CF)c1
InChIInChI=1S/C22H25FN2O/c23-14-19-13-18(22(24)26)6-7-21(19)17-5-4-15-8-10-25(20-2-1-3-20)11-9-16(15)12-17/h4-7,12-13,20H,1-3,8-11,14H2,(H2,24,26)
InChIKeyUYBKDXOIFKYKIZ-UHFFFAOYSA-N
XLogP3.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(fluoromethyl)benzamide?
The IUPAC name of 4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(fluoromethyl)benzamide (CID 91037243) is 4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(fluoromethyl)benzamide.
What is the SMILES notation for 4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(fluoromethyl)benzamide?
The canonical SMILES for 4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(fluoromethyl)benzamide is NC(=O)c1ccc(-c2ccc3c(c2)CCN(C2CCC2)CC3)c(CF)c1.
What is the InChIKey of 4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(fluoromethyl)benzamide?
The InChIKey is UYBKDXOIFKYKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c23-14-19-13-18(22(24)26)6-7-21(19)17-5-4-15-8-10-25(20-2-1-3-20)11-9-16(15)12-17/h4-7,12-13,20H,1-3,8-11,14H2,(H2,24,26).
What are the key properties of 4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(fluoromethyl)benzamide?
4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(fluoromethyl)benzamide has a molecular weight of 352.45 g/mol, XLogP of 3.88, 4 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-(fluoromethyl)benzamide is sourced from PubChem (CID 91037243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).