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Lofepramine

C26H27ClN2O — CID 3947

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(4-chlorophenyl)-2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethanone
SMILESCN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3
InChIKeySAPNXPWPAUFAJU-UHFFFAOYSA-N
MW418.97 g/mol
LogP5.78
Rot. Bonds7

About Lofepramine

Lofepramine (PubChem CID 3947) has the molecular formula C26H27ClN2O and a molecular weight of 418.97 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethanone.

Molecular Properties

Compound NameLofepramine
PubChem CID3947
Molecular FormulaC26H27ClN2O
Molecular Weight418.97 g/mol
Exact Mass418.18
IUPAC Name1-(4-chlorophenyl)-2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethanone
SMILESCN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3
InChIKeySAPNXPWPAUFAJU-UHFFFAOYSA-N
XLogP5.78
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.97
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-(4-Chlorophenyl)-1-piperazinyl)-1-phenylethanone
CID 1477078
1-(4-Chlorophenyl)-2-(2,5-dimethylanilino)ethanone
CID 788619
(+/-)-N-(1-(4-chlorobenzoyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylacetamide
CID 10251489
Ketipramine
CID 28424
1-(4-chlorobenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 5306925
4-(4-(4-Chlorophenyl)-1,4-diazepan-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 11653679
2-Chloro-10-[3-(diethylamino)propyl]acridin-9-one
CID 11846392
1-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 134155451
1-(4-Chlorophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 727056
(4-chlorophenyl){4-[4-(dimethylamino)phenyl]-1-methyltetrahydro-1H-pyrrol-3-yl}methanone
CID 3695977

Frequently Asked Questions

What is the IUPAC name of Lofepramine?
The IUPAC name of Lofepramine (CID 3947) is 1-(4-chlorophenyl)-2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethanone.
What is the SMILES notation for Lofepramine?
The canonical SMILES for Lofepramine is CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1.
What is the InChIKey of Lofepramine?
The InChIKey is SAPNXPWPAUFAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3.
What are the key properties of Lofepramine?
Lofepramine has a molecular weight of 418.97 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Lofepramine is sourced from PubChem (CID 3947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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