N'-(2-fluorobenzoyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzohydrazide

C20H21FN4O4 — CID 34263633

IUPACN'-(2-fluorobenzoyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzohydrazide
SMILESCC1CCN(c2ccc(C(=O)NNC(=O)c3ccccc3F)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C20H21FN4O4/c1-13-8-10-24(11-9-13)17-7-6-14(12-18(17)25(28)29)19(26)22-23-20(27)15-4-2-3-5-16(15)21/h2-7,12-13H,8-11H2,1H3,(H,22,26)(H,23,27)
InChIKeyUJFLBVZYMVTDGR-UHFFFAOYSA-N
MW400.41 g/mol
LogP3.05
Rot. Bonds4

About N'-(2-fluorobenzoyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzohydrazide

N'-(2-fluorobenzoyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzohydrazide (PubChem CID 34263633) has the molecular formula C20H21FN4O4 and a molecular weight of 400.41 g/mol. Its IUPAC name is N'-(2-fluorobenzoyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(2-fluorobenzoyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzohydrazide
PubChem CID34263633
Molecular FormulaC20H21FN4O4
Molecular Weight400.41 g/mol
Exact Mass400.15
IUPAC NameN'-(2-fluorobenzoyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzohydrazide
SMILESCC1CCN(c2ccc(C(=O)NNC(=O)c3ccccc3F)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C20H21FN4O4/c1-13-8-10-24(11-9-13)17-7-6-14(12-18(17)25(28)29)19(26)22-23-20(27)15-4-2-3-5-16(15)21/h2-7,12-13H,8-11H2,1H3,(H,22,26)(H,23,27)
InChIKeyUJFLBVZYMVTDGR-UHFFFAOYSA-N
XLogP3.05
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(2-fluorobenzoyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzohydrazide 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

N'-(2-hydroxybenzoyl)-3-nitro-4-pyrrolidin-1-ylbenzohydrazide
CID 27694002
N-butyl-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 4805638
N-(2-cyanophenyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 17274637
N-[2-(difluoromethylsulfonyl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 52896657
2-[2-[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]amino]phenyl]acetic acid
CID 119353096
N-(3-aminobutyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide;hydrochloride
CID 119499237
N-(2,3-dimethylphenyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 4842911
4-(4-methylazepan-1-yl)-3-nitrobenzoic acid
CID 63624097
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 17274373
N'-[2-(2,5-dimethylphenoxy)acetyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzohydrazide
CID 18272101
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 17098689
N-methyl-4-(4-methylpiperidin-1-yl)-3-nitro-N-phenylbenzamide
CID 2960327

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorobenzoyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzohydrazide?
The IUPAC name of N'-(2-fluorobenzoyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzohydrazide (CID 34263633) is N'-(2-fluorobenzoyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzohydrazide.
What is the SMILES notation for N'-(2-fluorobenzoyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzohydrazide?
The canonical SMILES for N'-(2-fluorobenzoyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzohydrazide is CC1CCN(c2ccc(C(=O)NNC(=O)c3ccccc3F)cc2[N+](=O)[O-])CC1.
What is the InChIKey of N'-(2-fluorobenzoyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzohydrazide?
The InChIKey is UJFLBVZYMVTDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O4/c1-13-8-10-24(11-9-13)17-7-6-14(12-18(17)25(28)29)19(26)22-23-20(27)15-4-2-3-5-16(15)21/h2-7,12-13H,8-11H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N'-(2-fluorobenzoyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzohydrazide?
N'-(2-fluorobenzoyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzohydrazide has a molecular weight of 400.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorobenzoyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzohydrazide is sourced from PubChem (CID 34263633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).