(E)-3-[1-[(4-chlorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide

C17H14ClN3O2 — CID 170647940

IUPAC(E)-3-[1-[(4-chlorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(cnn2Cc2ccc(Cl)cc2)c1)NO
InChIInChI=1S/C17H14ClN3O2/c18-15-5-1-13(2-6-15)11-21-16-7-3-12(4-8-17(22)20-23)9-14(16)10-19-21/h1-10,23H,11H2,(H,20,22)/b8-4+
InChIKeyYCRYCSPDQOWLIE-XBXARRHUSA-N
MW327.77 g/mol
LogP3.26
Rot. Bonds4

About (E)-3-[1-[(4-chlorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide

(E)-3-[1-[(4-chlorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide (PubChem CID 170647940) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is (E)-3-[1-[(4-chlorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[1-[(4-chlorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide
PubChem CID170647940
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name(E)-3-[1-[(4-chlorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(cnn2Cc2ccc(Cl)cc2)c1)NO
InChIInChI=1S/C17H14ClN3O2/c18-15-5-1-13(2-6-15)11-21-16-7-3-12(4-8-17(22)20-23)9-14(16)10-19-21/h1-10,23H,11H2,(H,20,22)/b8-4+
InChIKeyYCRYCSPDQOWLIE-XBXARRHUSA-N
XLogP3.26
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.26
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-(1-benzylindazol-5-yl)-N-hydroxyprop-2-enamide
CID 170647943
5-chloro-1-[(4-chlorophenyl)methyl]indazole
CID 59148107
(E)-3-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-7-yl]-N-hydroxyprop-2-enamide
CID 177379683
(E)-3-[6-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 87790355
(E)-3-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-6-yl]-N-hydroxyprop-2-enamide
CID 170647918
(E)-3-[6-[[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 87636936
(E)-3-(2-benzylindazol-5-yl)-N-hydroxyprop-2-enamide
CID 170647942
6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindazole
CID 59148151
2-[[(E)-3-[1-(cyclopropylmethyl)indazol-5-yl]prop-2-enoyl]amino]cyclohexene-1-carboxylic acid
CID 171797380
5-chloro-1-[(4-chlorophenyl)methyl]-6-methylindazole
CID 46935408
N-hydroxy-3-naphthalen-2-ylprop-2-enamide
CID 54114861
(E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one
CID 143411738

Frequently Asked Questions

What is the IUPAC name of (E)-3-[1-[(4-chlorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[1-[(4-chlorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide (CID 170647940) is (E)-3-[1-[(4-chlorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[1-[(4-chlorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[1-[(4-chlorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc2c(cnn2Cc2ccc(Cl)cc2)c1)NO.
What is the InChIKey of (E)-3-[1-[(4-chlorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide?
The InChIKey is YCRYCSPDQOWLIE-XBXARRHUSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c18-15-5-1-13(2-6-15)11-21-16-7-3-12(4-8-17(22)20-23)9-14(16)10-19-21/h1-10,23H,11H2,(H,20,22)/b8-4+.
What are the key properties of (E)-3-[1-[(4-chlorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide?
(E)-3-[1-[(4-chlorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide has a molecular weight of 327.77 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-[(4-chlorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 170647940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).