N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-(1H-imidazol-2-yl)benzamide

C19H16N4O3 — CID 122514275

IUPACN-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-(1H-imidazol-2-yl)benzamide
SMILESO=C(/C=C/c1ccccc1NC(=O)c1ccc(-c2ncc[nH]2)cc1)NO
InChIInChI=1S/C19H16N4O3/c24-17(23-26)10-9-13-3-1-2-4-16(13)22-19(25)15-7-5-14(6-8-15)18-20-11-12-21-18/h1-12,26H,(H,20,21)(H,22,25)(H,23,24)/b10-9+
InChIKeyHBCRUFANNIFJFL-MDZDMXLPSA-N
MW348.36 g/mol
LogP2.85
Rot. Bonds5

About N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-(1H-imidazol-2-yl)benzamide

N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-(1H-imidazol-2-yl)benzamide (PubChem CID 122514275) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-(1H-imidazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-(1H-imidazol-2-yl)benzamide
PubChem CID122514275
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC NameN-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-(1H-imidazol-2-yl)benzamide
SMILESO=C(/C=C/c1ccccc1NC(=O)c1ccc(-c2ncc[nH]2)cc1)NO
InChIInChI=1S/C19H16N4O3/c24-17(23-26)10-9-13-3-1-2-4-16(13)22-19(25)15-7-5-14(6-8-15)18-20-11-12-21-18/h1-12,26H,(H,20,21)(H,22,25)(H,23,24)/b10-9+
InChIKeyHBCRUFANNIFJFL-MDZDMXLPSA-N
XLogP2.85
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.85
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-(1H-imidazol-2-yl)benzamide?
The IUPAC name of N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-(1H-imidazol-2-yl)benzamide (CID 122514275) is N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-(1H-imidazol-2-yl)benzamide.
What is the SMILES notation for N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-(1H-imidazol-2-yl)benzamide?
The canonical SMILES for N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-(1H-imidazol-2-yl)benzamide is O=C(/C=C/c1ccccc1NC(=O)c1ccc(-c2ncc[nH]2)cc1)NO.
What is the InChIKey of N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-(1H-imidazol-2-yl)benzamide?
The InChIKey is HBCRUFANNIFJFL-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H16N4O3/c24-17(23-26)10-9-13-3-1-2-4-16(13)22-19(25)15-7-5-14(6-8-15)18-20-11-12-21-18/h1-12,26H,(H,20,21)(H,22,25)(H,23,24)/b10-9+.
What are the key properties of N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-(1H-imidazol-2-yl)benzamide?
N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-(1H-imidazol-2-yl)benzamide has a molecular weight of 348.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-(1H-imidazol-2-yl)benzamide is sourced from PubChem (CID 122514275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).