(E)-3-[2-[(3-fluorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide

C17H14FN3O2 — CID 170647947

IUPAC(E)-3-[2-[(3-fluorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2nn(Cc3cccc(F)c3)cc2c1)NO
InChIInChI=1S/C17H14FN3O2/c18-15-3-1-2-13(9-15)10-21-11-14-8-12(4-6-16(14)19-21)5-7-17(22)20-23/h1-9,11,23H,10H2,(H,20,22)/b7-5+
InChIKeyIQQGPKNFANNLSO-FNORWQNLSA-N
MW311.32 g/mol
LogP2.74
Rot. Bonds4

About (E)-3-[2-[(3-fluorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide

(E)-3-[2-[(3-fluorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide (PubChem CID 170647947) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is (E)-3-[2-[(3-fluorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-[(3-fluorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide
PubChem CID170647947
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name(E)-3-[2-[(3-fluorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2nn(Cc3cccc(F)c3)cc2c1)NO
InChIInChI=1S/C17H14FN3O2/c18-15-3-1-2-13(9-15)10-21-11-14-8-12(4-6-16(14)19-21)5-7-17(22)20-23/h1-9,11,23H,10H2,(H,20,22)/b7-5+
InChIKeyIQQGPKNFANNLSO-FNORWQNLSA-N
XLogP2.74
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-benzylindazol-5-yl)-N-hydroxyprop-2-enamide
CID 170647942
(Z)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 19402763
(E)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 19401081
(E)-3-[1'-[(3-fluorophenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide
CID 87208817
N-hydroxy-3-quinolin-6-ylprop-2-enamide
CID 85112903
(E)-3-(1-benzylindazol-5-yl)-N-hydroxyprop-2-enamide
CID 170647943
N-hydroxy-3-naphthalen-2-ylprop-2-enamide
CID 54114861
(E)-3-(2-chlorophenyl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 19336376
(E)-N-hydroxy-3-[4-[(E)-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 24756560
(E)-N-hydroxy-3-[3-[(E)-3-oxo-3-[3-[(4-phenylpiperazin-1-yl)methyl]phenyl]prop-1-enyl]phenyl]prop-2-enamide
CID 25207493
(E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one
CID 143411738
3-[3-[[4-[4-[(dimethylamino)methyl]phenyl]triazol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 123453089

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[(3-fluorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-[(3-fluorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide (CID 170647947) is (E)-3-[2-[(3-fluorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-[(3-fluorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-[(3-fluorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc2nn(Cc3cccc(F)c3)cc2c1)NO.
What is the InChIKey of (E)-3-[2-[(3-fluorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide?
The InChIKey is IQQGPKNFANNLSO-FNORWQNLSA-N. The full InChI is InChI=1S/C17H14FN3O2/c18-15-3-1-2-13(9-15)10-21-11-14-8-12(4-6-16(14)19-21)5-7-17(22)20-23/h1-9,11,23H,10H2,(H,20,22)/b7-5+.
What are the key properties of (E)-3-[2-[(3-fluorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide?
(E)-3-[2-[(3-fluorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide has a molecular weight of 311.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[(3-fluorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 170647947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).