N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide

C26H20F3N3O3 — CID 88850560

IUPACN-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NO)c1ccc(CNC(=O)c2[nH]c(-c3ccccc3)cc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C26H20F3N3O3/c27-26(28,29)20-12-10-17(11-13-20)21-14-22(18-4-2-1-3-5-18)31-23(21)25(34)30-15-16-6-8-19(9-7-16)24(33)32-35/h1-14,31,35H,15H2,(H,30,34)(H,32,33)
InChIKeyJKLOVHJBPLAOIQ-UHFFFAOYSA-N
MW479.46 g/mol
LogP5.42
Rot. Bonds6

About N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide

N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 88850560) has the molecular formula C26H20F3N3O3 and a molecular weight of 479.46 g/mol. Its IUPAC name is N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID88850560
Molecular FormulaC26H20F3N3O3
Molecular Weight479.46 g/mol
Exact Mass479.15
IUPAC NameN-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NO)c1ccc(CNC(=O)c2[nH]c(-c3ccccc3)cc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C26H20F3N3O3/c27-26(28,29)20-12-10-17(11-13-20)21-14-22(18-4-2-1-3-5-18)31-23(21)25(34)30-15-16-6-8-19(9-7-16)24(33)32-35/h1-14,31,35H,15H2,(H,30,34)(H,32,33)
InChIKeyJKLOVHJBPLAOIQ-UHFFFAOYSA-N
XLogP5.42
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.46
LogP ≤ 55.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-thiophen-2-yl-1H-pyrrole-2-carboxamide
CID 51039070
3-(4-methoxyphenyl)-5-phenyl-N-[[4-(2-sulfanylethylcarbamoyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 51038885
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
5-(2,3-dihydrothiophen-5-yl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-1H-pyrrole-2-carboxamide
CID 88853335
4-[3-[3,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-3-oxopropyl]-N-hydroxybenzamide
CID 148621746
3-(4-methoxyphenyl)-5-phenyl-N-[[4-[(2-prop-2-enylsulfonylphenyl)carbamoyl]phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 174667164
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 46535520
5-benzoyl-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
CID 177307933
N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 6723660
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-3-(4-hydroxyphenyl)-5-thiophen-3-yl-1H-pyrrole-2-carboxamide
CID 67082776
N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 6724169
N-[3-[[4-[(4-methylbenzoyl)amino]phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70145257

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide (CID 88850560) is N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide is O=C(NO)c1ccc(CNC(=O)c2[nH]c(-c3ccccc3)cc2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is JKLOVHJBPLAOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N3O3/c27-26(28,29)20-12-10-17(11-13-20)21-14-22(18-4-2-1-3-5-18)31-23(21)25(34)30-15-16-6-8-19(9-7-16)24(33)32-35/h1-14,31,35H,15H2,(H,30,34)(H,32,33).
What are the key properties of N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide?
N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 479.46 g/mol, XLogP of 5.42, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 88850560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).