1,4-diazepan-1-yl-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone

C19H21FN2O2 — CID 119417023

IUPAC1,4-diazepan-1-yl-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCCNCC3)c(F)c2)cc1
InChIInChI=1S/C19H21FN2O2/c1-24-16-6-3-14(4-7-16)15-5-8-17(18(20)13-15)19(23)22-11-2-9-21-10-12-22/h3-8,13,21H,2,9-12H2,1H3
InChIKeyNLLRTVFRJXWDLM-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.94
Rot. Bonds3

About 1,4-diazepan-1-yl-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone

1,4-diazepan-1-yl-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone (PubChem CID 119417023) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 1,4-diazepan-1-yl-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone.

Molecular Properties

Compound Name1,4-diazepan-1-yl-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone
PubChem CID119417023
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name1,4-diazepan-1-yl-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCCNCC3)c(F)c2)cc1
InChIInChI=1S/C19H21FN2O2/c1-24-16-6-3-14(4-7-16)15-5-8-17(18(20)13-15)19(23)22-11-2-9-21-10-12-22/h3-8,13,21H,2,9-12H2,1H3
InChIKeyNLLRTVFRJXWDLM-UHFFFAOYSA-N
XLogP2.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,4-diazepan-1-yl-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-diazepan-1-yl-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone
CID 119415116
1,4-diazepan-1-yl-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone;hydrochloride
CID 119415115
(4-aminopiperidin-1-yl)-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone
CID 119375419
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
1,4-diazepan-1-yl-[2-(4-methoxyphenyl)quinolin-4-yl]methanone;dihydrochloride
CID 119415935
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone
CID 120816532
(3R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-3-carboxamide
CID 95760054
[3-(1,4-diazepane-1-carbonyl)-5-(4-methoxyphenyl)thiophen-2-yl]urea
CID 11494523
1,4-diazepan-1-yl-(5-methoxy-2-nitrophenyl)methanone
CID 119414786
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone;hydrochloride
CID 120816531
1,4-diazepan-1-yl-(2-methoxy-4-methylphenyl)methanone
CID 110833035
(2-fluoro-4-pyridin-4-ylphenyl)-pyrrolidin-1-ylmethanone
CID 143120198

Frequently Asked Questions

What is the IUPAC name of 1,4-diazepan-1-yl-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone?
The IUPAC name of 1,4-diazepan-1-yl-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone (CID 119417023) is 1,4-diazepan-1-yl-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone.
What is the SMILES notation for 1,4-diazepan-1-yl-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone?
The canonical SMILES for 1,4-diazepan-1-yl-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone is COc1ccc(-c2ccc(C(=O)N3CCCNCC3)c(F)c2)cc1.
What is the InChIKey of 1,4-diazepan-1-yl-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone?
The InChIKey is NLLRTVFRJXWDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-24-16-6-3-14(4-7-16)15-5-8-17(18(20)13-15)19(23)22-11-2-9-21-10-12-22/h3-8,13,21H,2,9-12H2,1H3.
What are the key properties of 1,4-diazepan-1-yl-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone?
1,4-diazepan-1-yl-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone has a molecular weight of 328.39 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazepan-1-yl-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone is sourced from PubChem (CID 119417023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).