N-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide

C19H16FN5O4 — CID 3291654

IUPACN-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)NN=Cc1cccc(OCc2ccccc2F)c1
InChIInChI=1S/C19H16FN5O4/c20-18-7-2-1-5-15(18)13-29-17-6-3-4-14(8-17)9-21-23-19(26)12-24-11-16(10-22-24)25(27)28/h1-11H,12-13H2,(H,23,26)
InChIKeyYBRYBMIMHVEFNE-UHFFFAOYSA-N
MW397.37 g/mol
LogP2.66
Rot. Bonds8

About N-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide

N-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide (PubChem CID 3291654) has the molecular formula C19H16FN5O4 and a molecular weight of 397.37 g/mol. Its IUPAC name is N-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide
PubChem CID3291654
Molecular FormulaC19H16FN5O4
Molecular Weight397.37 g/mol
Exact Mass397.12
IUPAC NameN-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)NN=Cc1cccc(OCc2ccccc2F)c1
InChIInChI=1S/C19H16FN5O4/c20-18-7-2-1-5-15(18)13-29-17-6-3-4-14(8-17)9-21-23-19(26)12-24-11-16(10-22-24)25(27)28/h1-11H,12-13H2,(H,23,26)
InChIKeyYBRYBMIMHVEFNE-UHFFFAOYSA-N
XLogP2.66
TPSA111.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide 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-(3-methoxybenzyl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide
CID 2983678
N-[[5-[(3-fluoro-5-methoxyphenyl)methylidene]-2H-pyran-6-ylidene]amino]-1-methylpyrazol-4-amine
CID 123227004
N-[1-[2-[methyl-[2-[3-(trifluoromethyl)phenoxy]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
CID 166148075
3-(4-fluoro-2-methylphenoxy)-N-[1-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide
CID 171654489
N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide
CID 1422988
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[1-[4-[(2-fluorophenyl)methoxy]phenyl]ethylideneamino]acetamide
CID 3285686
N-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide
CID 4054140
N-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide
CID 4074676
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]propanamide
CID 4187459
N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide
CID 4204310
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide
CID 4394785
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide
CID 4547736

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide (CID 3291654) is N-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide is O=C(Cn1cc([N+](=O)[O-])cn1)NN=Cc1cccc(OCc2ccccc2F)c1.
What is the InChIKey of N-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide?
The InChIKey is YBRYBMIMHVEFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O4/c20-18-7-2-1-5-15(18)13-29-17-6-3-4-14(8-17)9-21-23-19(26)12-24-11-16(10-22-24)25(27)28/h1-11H,12-13H2,(H,23,26).
What are the key properties of N-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide?
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide has a molecular weight of 397.37 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 3291654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).