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

C15H14ClNO2 — CID 113236859

IUPAC(5-chlorofuran-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
SMILESO=C(c1ccc(Cl)o1)N1CCc2ccccc2CC1
InChIInChI=1S/C15H14ClNO2/c16-14-6-5-13(19-14)15(18)17-9-7-11-3-1-2-4-12(11)8-10-17/h1-6H,7-10H2
InChIKeyXIHWGAJGCOIGFX-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.17
Rot. Bonds1

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

(5-chlorofuran-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone (PubChem CID 113236859) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
PubChem CID113236859
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name(5-chlorofuran-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
SMILESO=C(c1ccc(Cl)o1)N1CCc2ccccc2CC1
InChIInChI=1S/C15H14ClNO2/c16-14-6-5-13(19-14)15(18)17-9-7-11-3-1-2-4-12(11)8-10-17/h1-6H,7-10H2
InChIKeyXIHWGAJGCOIGFX-UHFFFAOYSA-N
XLogP3.17
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chlorofuran-2-carbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104557227
(5-chlorofuran-2-yl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 113226277
(5-chlorofuran-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 29421852
(5-chlorofuran-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 113245179
(5-chlorofuran-2-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 113226423
1-[4-(5-chlorofuran-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 87030559
(5-chlorofuran-2-yl)-(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)methanone
CID 128591781
(5-chlorofuran-2-yl)-(3-chloropiperidin-1-yl)methanone
CID 106689868
(5-chlorofuran-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81483493
(5-chlorofuran-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551638
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(5-chlorofuran-2-yl)methanone
CID 106689935
[4-(1-aminoethyl)piperidin-1-yl]-(5-chlorofuran-2-yl)methanone;hydrochloride
CID 119520111

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
The IUPAC name of (5-chlorofuran-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone (CID 113236859) is (5-chlorofuran-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone is O=C(c1ccc(Cl)o1)N1CCc2ccccc2CC1.
What is the InChIKey of (5-chlorofuran-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
The InChIKey is XIHWGAJGCOIGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-14-6-5-13(19-14)15(18)17-9-7-11-3-1-2-4-12(11)8-10-17/h1-6H,7-10H2.
What are the key properties of (5-chlorofuran-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
(5-chlorofuran-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone has a molecular weight of 275.74 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone is sourced from PubChem (CID 113236859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).