N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(1-methylpyrazol-4-yl)oxybenzamide

C20H18N4O4 — CID 122514183

IUPACN-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(1-methylpyrazol-4-yl)oxybenzamide
SMILESCn1cc(Oc2ccccc2C(=O)Nc2ccccc2/C=C/C(=O)NO)cn1
InChIInChI=1S/C20H18N4O4/c1-24-13-15(12-21-24)28-18-9-5-3-7-16(18)20(26)22-17-8-4-2-6-14(17)10-11-19(25)23-27/h2-13,27H,1H3,(H,22,26)(H,23,25)/b11-10+
InChIKeyIXOPPHXPOPZZPC-ZHACJKMWSA-N
MW378.39 g/mol
LogP2.98
Rot. Bonds6

About N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(1-methylpyrazol-4-yl)oxybenzamide

N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(1-methylpyrazol-4-yl)oxybenzamide (PubChem CID 122514183) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(1-methylpyrazol-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(1-methylpyrazol-4-yl)oxybenzamide
PubChem CID122514183
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC NameN-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(1-methylpyrazol-4-yl)oxybenzamide
SMILESCn1cc(Oc2ccccc2C(=O)Nc2ccccc2/C=C/C(=O)NO)cn1
InChIInChI=1S/C20H18N4O4/c1-24-13-15(12-21-24)28-18-9-5-3-7-16(18)20(26)22-17-8-4-2-6-14(17)10-11-19(25)23-27/h2-13,27H,1H3,(H,22,26)(H,23,25)/b11-10+
InChIKeyIXOPPHXPOPZZPC-ZHACJKMWSA-N
XLogP2.98
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-(1-methylpyrazol-4-yl)oxy-N-(2-oxo-1H-pyridin-3-yl)benzamide
CID 136540880
N-[5-chloro-2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(4-methylphenoxy)benzamide
CID 122550447
2-(1-methylpyrazol-4-yl)oxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 167804601
N-hydroxy-3-(2-pyridin-3-yloxyphenyl)prop-2-enamide
CID 123230894
N-hydroxy-3-(2-pyridin-4-yloxyphenyl)prop-2-enamide
CID 78137722
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
3-[2-(3,4-dichlorophenoxy)phenyl]-N-hydroxyprop-2-enamide
CID 78137725
N-hydroxy-3-[2-(3-methoxyphenoxy)phenyl]prop-2-enamide
CID 78137677
5-methyl-2-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 116792581
N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 122514418
N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]cyclohexanecarboxamide
CID 122514304
2-bromo-6-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 114888730

Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(1-methylpyrazol-4-yl)oxybenzamide?
The IUPAC name of N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(1-methylpyrazol-4-yl)oxybenzamide (CID 122514183) is N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(1-methylpyrazol-4-yl)oxybenzamide.
What is the SMILES notation for N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(1-methylpyrazol-4-yl)oxybenzamide?
The canonical SMILES for N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(1-methylpyrazol-4-yl)oxybenzamide is Cn1cc(Oc2ccccc2C(=O)Nc2ccccc2/C=C/C(=O)NO)cn1.
What is the InChIKey of N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(1-methylpyrazol-4-yl)oxybenzamide?
The InChIKey is IXOPPHXPOPZZPC-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-24-13-15(12-21-24)28-18-9-5-3-7-16(18)20(26)22-17-8-4-2-6-14(17)10-11-19(25)23-27/h2-13,27H,1H3,(H,22,26)(H,23,25)/b11-10+.
What are the key properties of N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(1-methylpyrazol-4-yl)oxybenzamide?
N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(1-methylpyrazol-4-yl)oxybenzamide has a molecular weight of 378.39 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(1-methylpyrazol-4-yl)oxybenzamide is sourced from PubChem (CID 122514183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).