(3,5-difluoro-4-hydrazinylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone

C13H18F2N4O — CID 63185956

IUPAC(3,5-difluoro-4-hydrazinylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)c2cc(F)c(NN)c(F)c2)CC1
InChIInChI=1S/C13H18F2N4O/c1-18-3-2-4-19(6-5-18)13(20)9-7-10(14)12(17-16)11(15)8-9/h7-8,17H,2-6,16H2,1H3
InChIKeyOOJHWEBHUMHSFK-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.03
Rot. Bonds2

About (3,5-difluoro-4-hydrazinylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone

(3,5-difluoro-4-hydrazinylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 63185956) has the molecular formula C13H18F2N4O and a molecular weight of 284.31 g/mol. Its IUPAC name is (3,5-difluoro-4-hydrazinylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name(3,5-difluoro-4-hydrazinylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID63185956
Molecular FormulaC13H18F2N4O
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name(3,5-difluoro-4-hydrazinylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)c2cc(F)c(NN)c(F)c2)CC1
InChIInChI=1S/C13H18F2N4O/c1-18-3-2-4-19(6-5-18)13(20)9-7-10(14)12(17-16)11(15)8-9/h7-8,17H,2-6,16H2,1H3
InChIKeyOOJHWEBHUMHSFK-UHFFFAOYSA-N
XLogP1.03
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.03
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'}

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Related Compounds

[4-(ethylamino)-3,5-difluorophenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 63183541
(3,5-difluoro-4-hydrazinylphenyl)-(4-propylpiperazin-1-yl)methanone
CID 63186501
(3,5-difluoro-4-hydrazinylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 63185912
[3,5-difluoro-4-(propylamino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 63187434
(3,5-difluoro-4-hydrazinylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107395020
(3,5-difluoro-4-hydrazinylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106588873
(4-chloro-3-fluorophenyl)-(4-methylpiperazin-1-yl)methanone
CID 103875464
(3,4-dihydroxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 103956223
(4-amino-3,5-difluorophenyl)-piperidin-1-ylmethanone
CID 63187366
(4-iodophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 60628706
N-cyclopropyl-2-fluoro-5-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide
CID 78852420
(3,5-difluoro-4-hydrazinylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102971176

Frequently Asked Questions

What is the IUPAC name of (3,5-difluoro-4-hydrazinylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of (3,5-difluoro-4-hydrazinylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone (CID 63185956) is (3,5-difluoro-4-hydrazinylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for (3,5-difluoro-4-hydrazinylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for (3,5-difluoro-4-hydrazinylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone is CN1CCCN(C(=O)c2cc(F)c(NN)c(F)c2)CC1.
What is the InChIKey of (3,5-difluoro-4-hydrazinylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is OOJHWEBHUMHSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N4O/c1-18-3-2-4-19(6-5-18)13(20)9-7-10(14)12(17-16)11(15)8-9/h7-8,17H,2-6,16H2,1H3.
What are the key properties of (3,5-difluoro-4-hydrazinylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone?
(3,5-difluoro-4-hydrazinylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 284.31 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluoro-4-hydrazinylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 63185956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).