1-[(4-fluorophenyl)-naphthalen-1-ylmethyl]-1,4-diazepane

C22H23FN2 — CID 3730605

IUPAC1-[(4-fluorophenyl)-naphthalen-1-ylmethyl]-1,4-diazepane
SMILESFc1ccc(C(c2cccc3ccccc23)N2CCCNCC2)cc1
InChIInChI=1S/C22H23FN2/c23-19-11-9-18(10-12-19)22(25-15-4-13-24-14-16-25)21-8-3-6-17-5-1-2-7-20(17)21/h1-3,5-12,22,24H,4,13-16H2
InChIKeyFBGVZZMWCRWMJI-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.36
Rot. Bonds3

About 1-[(4-fluorophenyl)-naphthalen-1-ylmethyl]-1,4-diazepane

1-[(4-fluorophenyl)-naphthalen-1-ylmethyl]-1,4-diazepane (PubChem CID 3730605) has the molecular formula C22H23FN2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)-naphthalen-1-ylmethyl]-1,4-diazepane.

Molecular Properties

Compound Name1-[(4-fluorophenyl)-naphthalen-1-ylmethyl]-1,4-diazepane
PubChem CID3730605
Molecular FormulaC22H23FN2
Molecular Weight334.44 g/mol
Exact Mass334.18
IUPAC Name1-[(4-fluorophenyl)-naphthalen-1-ylmethyl]-1,4-diazepane
SMILESFc1ccc(C(c2cccc3ccccc23)N2CCCNCC2)cc1
InChIInChI=1S/C22H23FN2/c23-19-11-9-18(10-12-19)22(25-15-4-13-24-14-16-25)21-8-3-6-17-5-1-2-7-20(17)21/h1-3,5-12,22,24H,4,13-16H2
InChIKeyFBGVZZMWCRWMJI-UHFFFAOYSA-N
XLogP4.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[naphthalen-1-yl-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 3321871
1-[(2-methylphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane
CID 3657426
1-[(3-methoxyphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane
CID 3842624
1-[(5-methylthiophen-2-yl)-naphthalen-1-ylmethyl]-1,4-diazepane
CID 3765993
1-[naphthalen-1-yl-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3663776
1-[(3-fluorophenyl)-(2-methoxyphenyl)methyl]-1,4-diazepane
CID 3603710
1-[(3-ethoxyphenyl)-(4-fluorophenyl)methyl]-1,4-diazepane
CID 4308636
1-[(5-chloro-2-methoxyphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane
CID 5134406
1-[naphthalen-1-yl(pyridin-2-yl)methyl]piperazine
CID 5023277
1-[(4-fluorophenyl)-(2-phenylmethoxyphenyl)methyl]piperazine
CID 3558640
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-naphthalen-1-ylacetamide
CID 70090974
1-[(4-methoxyphenyl)-phenylmethyl]-1,4-diazepane
CID 3838263

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)-naphthalen-1-ylmethyl]-1,4-diazepane?
The IUPAC name of 1-[(4-fluorophenyl)-naphthalen-1-ylmethyl]-1,4-diazepane (CID 3730605) is 1-[(4-fluorophenyl)-naphthalen-1-ylmethyl]-1,4-diazepane.
What is the SMILES notation for 1-[(4-fluorophenyl)-naphthalen-1-ylmethyl]-1,4-diazepane?
The canonical SMILES for 1-[(4-fluorophenyl)-naphthalen-1-ylmethyl]-1,4-diazepane is Fc1ccc(C(c2cccc3ccccc23)N2CCCNCC2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)-naphthalen-1-ylmethyl]-1,4-diazepane?
The InChIKey is FBGVZZMWCRWMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2/c23-19-11-9-18(10-12-19)22(25-15-4-13-24-14-16-25)21-8-3-6-17-5-1-2-7-20(17)21/h1-3,5-12,22,24H,4,13-16H2.
What are the key properties of 1-[(4-fluorophenyl)-naphthalen-1-ylmethyl]-1,4-diazepane?
1-[(4-fluorophenyl)-naphthalen-1-ylmethyl]-1,4-diazepane has a molecular weight of 334.44 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)-naphthalen-1-ylmethyl]-1,4-diazepane is sourced from PubChem (CID 3730605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).