4-amino-N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]benzamide

C21H16F2N4O2 — CID 46244302

IUPAC4-amino-N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]benzamide
SMILESNc1ccc(C(=O)Nc2n[nH]c3ccc(OCc4cc(F)cc(F)c4)cc23)cc1
InChIInChI=1S/C21H16F2N4O2/c22-14-7-12(8-15(23)9-14)11-29-17-5-6-19-18(10-17)20(27-26-19)25-21(28)13-1-3-16(24)4-2-13/h1-10H,11,24H2,(H2,25,26,27,28)
InChIKeyDIQZTSAJFVIYJX-UHFFFAOYSA-N
MW394.38 g/mol
LogP4.25
Rot. Bonds5

About 4-amino-N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]benzamide

4-amino-N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]benzamide (PubChem CID 46244302) has the molecular formula C21H16F2N4O2 and a molecular weight of 394.38 g/mol. Its IUPAC name is 4-amino-N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound Name4-amino-N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]benzamide
PubChem CID46244302
Molecular FormulaC21H16F2N4O2
Molecular Weight394.38 g/mol
Exact Mass394.12
IUPAC Name4-amino-N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]benzamide
SMILESNc1ccc(C(=O)Nc2n[nH]c3ccc(OCc4cc(F)cc(F)c4)cc23)cc1
InChIInChI=1S/C21H16F2N4O2/c22-14-7-12(8-15(23)9-14)11-29-17-5-6-19-18(10-17)20(27-26-19)25-21(28)13-1-3-16(24)4-2-13/h1-10H,11,24H2,(H2,25,26,27,28)
InChIKeyDIQZTSAJFVIYJX-UHFFFAOYSA-N
XLogP4.25
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]benzamide 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-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-3-ethylbenzamide
CID 70669783
4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide
CID 46244124
ethyl 4-[2-[[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]carbamoyl]-5-(4-methylpiperazin-1-yl)anilino]piperidine-1-carboxylate
CID 46244747
N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-2-(3-methoxy-2,2-dimethylpropyl)-4-(4-methylpiperazin-1-yl)benzamide
CID 58513791
N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-2-(4-methoxybutyl)-4-(4-methylpiperazin-1-yl)benzamide
CID 58513769
N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-2-[(1-methoxy-2-methylpropan-2-yl)amino]-4-(4-methylpiperazin-1-yl)benzamide
CID 46244746
N-[5-[(2-chlorophenyl)methoxy]-1H-indazol-3-yl]-2-fluorobenzamide
CID 86219883
(3-benzamido-1H-indazol-5-yl) 3-fluorobenzenesulfonate
CID 22567287
N-(5-hydroxy-1H-indazol-3-yl)benzamide
CID 45086916
3-benzamido-1H-indazole-5-carboxylic acid
CID 129093990
N-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]benzamide
CID 171349998
4-[(3,5-difluorophenyl)methoxy]benzoic acid
CID 112694437

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]benzamide?
The IUPAC name of 4-amino-N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]benzamide (CID 46244302) is 4-amino-N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]benzamide.
What is the SMILES notation for 4-amino-N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]benzamide?
The canonical SMILES for 4-amino-N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]benzamide is Nc1ccc(C(=O)Nc2n[nH]c3ccc(OCc4cc(F)cc(F)c4)cc23)cc1.
What is the InChIKey of 4-amino-N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]benzamide?
The InChIKey is DIQZTSAJFVIYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O2/c22-14-7-12(8-15(23)9-14)11-29-17-5-6-19-18(10-17)20(27-26-19)25-21(28)13-1-3-16(24)4-2-13/h1-10H,11,24H2,(H2,25,26,27,28).
What are the key properties of 4-amino-N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]benzamide?
4-amino-N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]benzamide has a molecular weight of 394.38 g/mol, XLogP of 4.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 46244302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).