4-[[[4-[(E)-3-(cyclopropylamino)-2-(3-fluorophenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide

C27H24FN3O4 — CID 59575500

IUPAC4-[[[4-[(E)-3-(cyclopropylamino)-2-(3-fluorophenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide
SMILESO=C(NC1CC1)/C(=C/c1ccc(C(=O)NCc2ccc(C(=O)NO)cc2)cc1)c1cccc(F)c1
InChIInChI=1S/C27H24FN3O4/c28-22-3-1-2-21(15-22)24(27(34)30-23-12-13-23)14-17-4-8-19(9-5-17)25(32)29-16-18-6-10-20(11-7-18)26(33)31-35/h1-11,14-15,23,35H,12-13,16H2,(H,29,32)(H,30,34)(H,31,33)/b24-14+
InChIKeyHSISKFHOSWEWCB-ZVHZXABRSA-N
MW473.50 g/mol
LogP3.69
Rot. Bonds8

About 4-[[[4-[(E)-3-(cyclopropylamino)-2-(3-fluorophenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide

4-[[[4-[(E)-3-(cyclopropylamino)-2-(3-fluorophenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide (PubChem CID 59575500) has the molecular formula C27H24FN3O4 and a molecular weight of 473.50 g/mol. Its IUPAC name is 4-[[[4-[(E)-3-(cyclopropylamino)-2-(3-fluorophenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[[4-[(E)-3-(cyclopropylamino)-2-(3-fluorophenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide
PubChem CID59575500
Molecular FormulaC27H24FN3O4
Molecular Weight473.50 g/mol
Exact Mass473.18
IUPAC Name4-[[[4-[(E)-3-(cyclopropylamino)-2-(3-fluorophenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide
SMILESO=C(NC1CC1)/C(=C/c1ccc(C(=O)NCc2ccc(C(=O)NO)cc2)cc1)c1cccc(F)c1
InChIInChI=1S/C27H24FN3O4/c28-22-3-1-2-21(15-22)24(27(34)30-23-12-13-23)14-17-4-8-19(9-5-17)25(32)29-16-18-6-10-20(11-7-18)26(33)31-35/h1-11,14-15,23,35H,12-13,16H2,(H,29,32)(H,30,34)(H,31,33)/b24-14+
InChIKeyHSISKFHOSWEWCB-ZVHZXABRSA-N
XLogP3.69
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 53.69
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[[[4-[(Z)-3-(cyclopropylamino)-2-(3,4-difluorophenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide
CID 87568790
4-[(E)-3-(cyclopropylamino)-2-(3-fluorophenyl)-3-oxoprop-1-enyl]-N-[6-(hydroxyamino)-6-oxohexyl]benzamide
CID 59575513
4-[[[4-[(E)-3-(cyclopropylamino)-2-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide
CID 59575493
4-[[[4-[(E)-2-(3-chlorophenyl)-3-(cyclopropylamino)-3-oxoprop-1-enyl]benzoyl]amino]methyl]benzamide
CID 70265458
(E)-N-cyclopropyl-2-(3-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 25267317
4-[3-(cyclopropylamino)-3-oxo-2-[4-(trifluoromethyl)phenyl]prop-1-enyl]-N-[(4-formylphenyl)methyl]benzamide
CID 123482395
4-[[[(E)-3-(4-fluorophenyl)-2-phenylprop-2-enoyl]amino]methyl]-N-hydroxybenzamide
CID 25265745
methyl 4-[[3-[4-[(E)-3-(cyclopropylamino)-2-(4-fluorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoylamino]methyl]benzoate
CID 68767568
N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 87468494
(E)-N-cyclopropyl-2-(3,4-difluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 25267666
N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide
CID 54936495
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide
CID 134039269

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-[(E)-3-(cyclopropylamino)-2-(3-fluorophenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[[4-[(E)-3-(cyclopropylamino)-2-(3-fluorophenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide (CID 59575500) is 4-[[[4-[(E)-3-(cyclopropylamino)-2-(3-fluorophenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[[4-[(E)-3-(cyclopropylamino)-2-(3-fluorophenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[[4-[(E)-3-(cyclopropylamino)-2-(3-fluorophenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide is O=C(NC1CC1)/C(=C/c1ccc(C(=O)NCc2ccc(C(=O)NO)cc2)cc1)c1cccc(F)c1.
What is the InChIKey of 4-[[[4-[(E)-3-(cyclopropylamino)-2-(3-fluorophenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide?
The InChIKey is HSISKFHOSWEWCB-ZVHZXABRSA-N. The full InChI is InChI=1S/C27H24FN3O4/c28-22-3-1-2-21(15-22)24(27(34)30-23-12-13-23)14-17-4-8-19(9-5-17)25(32)29-16-18-6-10-20(11-7-18)26(33)31-35/h1-11,14-15,23,35H,12-13,16H2,(H,29,32)(H,30,34)(H,31,33)/b24-14+.
What are the key properties of 4-[[[4-[(E)-3-(cyclopropylamino)-2-(3-fluorophenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide?
4-[[[4-[(E)-3-(cyclopropylamino)-2-(3-fluorophenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide has a molecular weight of 473.50 g/mol, XLogP of 3.69, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-[(E)-3-(cyclopropylamino)-2-(3-fluorophenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 59575500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).