[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl] carbamate

C18H19FN2O3 — CID 69292957

IUPAC[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl] carbamate
SMILESNC(=O)ON1CCc2ccc(OCc3cccc(F)c3)cc2CC1
InChIInChI=1S/C18H19FN2O3/c19-16-3-1-2-13(10-16)12-23-17-5-4-14-6-8-21(24-18(20)22)9-7-15(14)11-17/h1-5,10-11H,6-9,12H2,(H2,20,22)
InChIKeyNASKITXQXAWWFQ-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.82
Rot. Bonds4

About [7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl] carbamate

[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl] carbamate (PubChem CID 69292957) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is [7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl] carbamate.

Molecular Properties

Compound Name[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl] carbamate
PubChem CID69292957
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl] carbamate
SMILESNC(=O)ON1CCc2ccc(OCc3cccc(F)c3)cc2CC1
InChIInChI=1S/C18H19FN2O3/c19-16-3-1-2-13(10-16)12-23-17-5-4-14-6-8-21(24-18(20)22)9-7-15(14)11-17/h1-5,10-11H,6-9,12H2,(H2,20,22)
InChIKeyNASKITXQXAWWFQ-UHFFFAOYSA-N
XLogP2.82
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propanamide
CID 11302300
7-[(3-fluorophenyl)methoxy]-3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepine
CID 11152264
(2S)-2-[6-[(3-fluorophenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanamide
CID 69038301
7-[(3-fluorophenyl)methoxy]-2-oxido-1,3,4,5-tetrahydro-2-benzazepine
CID 11437671
ethyl 2-[6-[(3-fluorophenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate
CID 69037826
2-[3-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 60604617
2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate
CID 11687874
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
(3-fluorophenyl)methyl 3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 66653977
(E)-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 22476623
1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
3-[(3-fluorophenoxy)methyl]benzohydrazide
CID 63576868

Frequently Asked Questions

What is the IUPAC name of [7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl] carbamate?
The IUPAC name of [7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl] carbamate (CID 69292957) is [7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl] carbamate.
What is the SMILES notation for [7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl] carbamate?
The canonical SMILES for [7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl] carbamate is NC(=O)ON1CCc2ccc(OCc3cccc(F)c3)cc2CC1.
What is the InChIKey of [7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl] carbamate?
The InChIKey is NASKITXQXAWWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c19-16-3-1-2-13(10-16)12-23-17-5-4-14-6-8-21(24-18(20)22)9-7-15(14)11-17/h1-5,10-11H,6-9,12H2,(H2,20,22).
What are the key properties of [7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl] carbamate?
[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl] carbamate has a molecular weight of 330.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl] carbamate is sourced from PubChem (CID 69292957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).