N-[(E)-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylideneamino]-2,4-dihydroxybenzamide

C19H16FN3O3 — CID 169088186

IUPACN-[(E)-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylideneamino]-2,4-dihydroxybenzamide
SMILESO=C(N/N=C/c1cccn1Cc1ccccc1F)c1ccc(O)cc1O
InChIInChI=1S/C19H16FN3O3/c20-17-6-2-1-4-13(17)12-23-9-3-5-14(23)11-21-22-19(26)16-8-7-15(24)10-18(16)25/h1-11,24-25H,12H2,(H,22,26)/b21-11+
InChIKeyXUEPGLTWYKWFBN-SRZZPIQSSA-N
MW353.35 g/mol
LogP2.85
Rot. Bonds5

About N-[(E)-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylideneamino]-2,4-dihydroxybenzamide

N-[(E)-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylideneamino]-2,4-dihydroxybenzamide (PubChem CID 169088186) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is N-[(E)-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylideneamino]-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylideneamino]-2,4-dihydroxybenzamide
PubChem CID169088186
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC NameN-[(E)-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylideneamino]-2,4-dihydroxybenzamide
SMILESO=C(N/N=C/c1cccn1Cc1ccccc1F)c1ccc(O)cc1O
InChIInChI=1S/C19H16FN3O3/c20-17-6-2-1-4-13(17)12-23-9-3-5-14(23)11-21-22-19(26)16-8-7-15(24)10-18(16)25/h1-11,24-25H,12H2,(H,22,26)/b21-11+
InChIKeyXUEPGLTWYKWFBN-SRZZPIQSSA-N
XLogP2.85
TPSA86.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-fluorophenyl)methylideneamino]-2,4-dihydroxybenzamide
CID 5333882
1-(2-fluorophenyl)-3-[(E)-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylideneamino]thiourea
CID 46372096
N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3389420
4-chloro-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 5405746
1-(2,3-dimethylphenyl)-3-[(E)-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylideneamino]thiourea
CID 46372105
1-[(E)-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 46372103
N-[(E)-(2-bromophenyl)methylideneamino]-2,4-dihydroxybenzamide
CID 45054611
N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 674709
2,4-dihydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135688483
3,5-dihydroxy-N-[(E)-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methylideneamino]benzamide
CID 169088183
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 4675447
2,4-dihydroxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 6287752

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylideneamino]-2,4-dihydroxybenzamide?
The IUPAC name of N-[(E)-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylideneamino]-2,4-dihydroxybenzamide (CID 169088186) is N-[(E)-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylideneamino]-2,4-dihydroxybenzamide.
What is the SMILES notation for N-[(E)-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylideneamino]-2,4-dihydroxybenzamide?
The canonical SMILES for N-[(E)-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylideneamino]-2,4-dihydroxybenzamide is O=C(N/N=C/c1cccn1Cc1ccccc1F)c1ccc(O)cc1O.
What is the InChIKey of N-[(E)-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylideneamino]-2,4-dihydroxybenzamide?
The InChIKey is XUEPGLTWYKWFBN-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H16FN3O3/c20-17-6-2-1-4-13(17)12-23-9-3-5-14(23)11-21-22-19(26)16-8-7-15(24)10-18(16)25/h1-11,24-25H,12H2,(H,22,26)/b21-11+.
What are the key properties of N-[(E)-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylideneamino]-2,4-dihydroxybenzamide?
N-[(E)-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylideneamino]-2,4-dihydroxybenzamide has a molecular weight of 353.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylideneamino]-2,4-dihydroxybenzamide is sourced from PubChem (CID 169088186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).