(3-fluoro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone

C13H18FN3O2 — CID 62968377

IUPAC(3-fluoro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCC1CN(C(=O)c2cccc(F)c2NN)CCCO1
InChIInChI=1S/C13H18FN3O2/c1-9-8-17(6-3-7-19-9)13(18)10-4-2-5-11(14)12(10)16-15/h2,4-5,9,16H,3,6-8,15H2,1H3
InChIKeyTVMLPITYFQFZFP-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.36
Rot. Bonds2

About (3-fluoro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone

(3-fluoro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone (PubChem CID 62968377) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is (3-fluoro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
PubChem CID62968377
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name(3-fluoro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCC1CN(C(=O)c2cccc(F)c2NN)CCCO1
InChIInChI=1S/C13H18FN3O2/c1-9-8-17(6-3-7-19-9)13(18)10-4-2-5-11(14)12(10)16-15/h2,4-5,9,16H,3,6-8,15H2,1H3
InChIKeyTVMLPITYFQFZFP-UHFFFAOYSA-N
XLogP1.36
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3-fluoro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)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

(2-fluorophenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62972888
(3,5-dimethylpiperidin-1-yl)-(3-fluoro-2-hydrazinylphenyl)methanone
CID 55100115
(2-fluoro-3-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 80712132
4-(3-fluoro-2-hydrazinylbenzoyl)morpholine-2-carbonitrile
CID 79675907
(2-hydrazinyl-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62967501
(5-chloro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62967669
(3-hydroxy-2-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 82829577
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone
CID 113336142
(4-amino-2-fluorophenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62986686
(2-methyl-1,4-oxazepan-4-yl)-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone
CID 136545688
(3-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 105072116
(3-amino-4-fluoro-1-benzothiophen-2-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 79517608

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The IUPAC name of (3-fluoro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone (CID 62968377) is (3-fluoro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (3-fluoro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (3-fluoro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone is CC1CN(C(=O)c2cccc(F)c2NN)CCCO1.
What is the InChIKey of (3-fluoro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The InChIKey is TVMLPITYFQFZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-9-8-17(6-3-7-19-9)13(18)10-4-2-5-11(14)12(10)16-15/h2,4-5,9,16H,3,6-8,15H2,1H3.
What are the key properties of (3-fluoro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
(3-fluoro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone has a molecular weight of 267.30 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 62968377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).