(4-benzyl-1,4-diazepan-1-yl)-[5-(2-fluorophenyl)furan-2-yl]methanone

C23H23FN2O2 — CID 18157493

IUPAC(4-benzyl-1,4-diazepan-1-yl)-[5-(2-fluorophenyl)furan-2-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2F)o1)N1CCCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H23FN2O2/c24-20-10-5-4-9-19(20)21-11-12-22(28-21)23(27)26-14-6-13-25(15-16-26)17-18-7-2-1-3-8-18/h1-5,7-12H,6,13-17H2
InChIKeyCDJZJEHVBGBUTN-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.43
Rot. Bonds4

About (4-benzyl-1,4-diazepan-1-yl)-[5-(2-fluorophenyl)furan-2-yl]methanone

(4-benzyl-1,4-diazepan-1-yl)-[5-(2-fluorophenyl)furan-2-yl]methanone (PubChem CID 18157493) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is (4-benzyl-1,4-diazepan-1-yl)-[5-(2-fluorophenyl)furan-2-yl]methanone.

Molecular Properties

Compound Name(4-benzyl-1,4-diazepan-1-yl)-[5-(2-fluorophenyl)furan-2-yl]methanone
PubChem CID18157493
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Name(4-benzyl-1,4-diazepan-1-yl)-[5-(2-fluorophenyl)furan-2-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2F)o1)N1CCCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H23FN2O2/c24-20-10-5-4-9-19(20)21-11-12-22(28-21)23(27)26-14-6-13-25(15-16-26)17-18-7-2-1-3-8-18/h1-5,7-12H,6,13-17H2
InChIKeyCDJZJEHVBGBUTN-UHFFFAOYSA-N
XLogP4.43
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzyl-1,4-diazepan-1-yl)-[5-(2-chlorophenyl)furan-2-yl]methanone
CID 18157487
2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 39959005
[5-(2-fluorophenyl)furan-2-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 9467168
2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 17438730
(4-benzylpiperazin-1-yl)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 110392272
2-[[4-(4-benzyl-1,4-diazepane-1-carbonyl)phenyl]methyl]isoindole-1,3-dione
CID 32912923
[5-(2-fluorophenyl)furan-2-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119560350
(4-benzyl-1,4-diazepan-1-yl)-(2,5-dichlorophenyl)methanone
CID 18157465
2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoacetic acid
CID 141207482
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 131918948
[2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 4035755
(4-benzyl-1,4-diazepan-1-yl)-(4-fluoro-3-methyl-1-benzothiophen-2-yl)methanone
CID 55461375

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-1,4-diazepan-1-yl)-[5-(2-fluorophenyl)furan-2-yl]methanone?
The IUPAC name of (4-benzyl-1,4-diazepan-1-yl)-[5-(2-fluorophenyl)furan-2-yl]methanone (CID 18157493) is (4-benzyl-1,4-diazepan-1-yl)-[5-(2-fluorophenyl)furan-2-yl]methanone.
What is the SMILES notation for (4-benzyl-1,4-diazepan-1-yl)-[5-(2-fluorophenyl)furan-2-yl]methanone?
The canonical SMILES for (4-benzyl-1,4-diazepan-1-yl)-[5-(2-fluorophenyl)furan-2-yl]methanone is O=C(c1ccc(-c2ccccc2F)o1)N1CCCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzyl-1,4-diazepan-1-yl)-[5-(2-fluorophenyl)furan-2-yl]methanone?
The InChIKey is CDJZJEHVBGBUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2/c24-20-10-5-4-9-19(20)21-11-12-22(28-21)23(27)26-14-6-13-25(15-16-26)17-18-7-2-1-3-8-18/h1-5,7-12H,6,13-17H2.
What are the key properties of (4-benzyl-1,4-diazepan-1-yl)-[5-(2-fluorophenyl)furan-2-yl]methanone?
(4-benzyl-1,4-diazepan-1-yl)-[5-(2-fluorophenyl)furan-2-yl]methanone has a molecular weight of 378.45 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-1,4-diazepan-1-yl)-[5-(2-fluorophenyl)furan-2-yl]methanone is sourced from PubChem (CID 18157493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).