N-[(E)-1-(4-fluorophenyl)propylideneamino]-2-pyrrol-1-ylbenzamide

C20H18FN3O — CID 16555755

IUPACN-[(E)-1-(4-fluorophenyl)propylideneamino]-2-pyrrol-1-ylbenzamide
SMILESCC/C(=N\NC(=O)c1ccccc1-n1cccc1)c1ccc(F)cc1
InChIInChI=1S/C20H18FN3O/c1-2-18(15-9-11-16(21)12-10-15)22-23-20(25)17-7-3-4-8-19(17)24-13-5-6-14-24/h3-14H,2H2,1H3,(H,23,25)/b22-18+
InChIKeySHGJUQYBNLHQLC-RELWKKBWSA-N
MW335.38 g/mol
LogP4.16
Rot. Bonds5

About N-[(E)-1-(4-fluorophenyl)propylideneamino]-2-pyrrol-1-ylbenzamide

N-[(E)-1-(4-fluorophenyl)propylideneamino]-2-pyrrol-1-ylbenzamide (PubChem CID 16555755) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is N-[(E)-1-(4-fluorophenyl)propylideneamino]-2-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(E)-1-(4-fluorophenyl)propylideneamino]-2-pyrrol-1-ylbenzamide
PubChem CID16555755
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC NameN-[(E)-1-(4-fluorophenyl)propylideneamino]-2-pyrrol-1-ylbenzamide
SMILESCC/C(=N\NC(=O)c1ccccc1-n1cccc1)c1ccc(F)cc1
InChIInChI=1S/C20H18FN3O/c1-2-18(15-9-11-16(21)12-10-15)22-23-20(25)17-7-3-4-8-19(17)24-13-5-6-14-24/h3-14H,2H2,1H3,(H,23,25)/b22-18+
InChIKeySHGJUQYBNLHQLC-RELWKKBWSA-N
XLogP4.16
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-phenylethylideneamino)-2-pyrrol-1-ylbenzamide
CID 5051594
2-fluoro-N-(1-phenylpropylideneamino)benzamide
CID 4162373
2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135609434
N-[1-(4-chlorophenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide
CID 4578193
1-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-methylthiourea
CID 8972850
2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide
CID 5391962
N-[(E)-1-(3,5-dihydroxyphenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide
CID 17126850
N'-[(Z)-1-(4-fluorophenyl)propylideneamino]oxamide
CID 7612689
N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide
CID 4608756
2-chloro-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4195749
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-methoxybenzamide
CID 135643099
N-[(Z)-1-(4-fluorophenyl)propylideneamino]quinoline-2-carboxamide
CID 29223067

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-fluorophenyl)propylideneamino]-2-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(E)-1-(4-fluorophenyl)propylideneamino]-2-pyrrol-1-ylbenzamide (CID 16555755) is N-[(E)-1-(4-fluorophenyl)propylideneamino]-2-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(E)-1-(4-fluorophenyl)propylideneamino]-2-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(E)-1-(4-fluorophenyl)propylideneamino]-2-pyrrol-1-ylbenzamide is CC/C(=N\NC(=O)c1ccccc1-n1cccc1)c1ccc(F)cc1.
What is the InChIKey of N-[(E)-1-(4-fluorophenyl)propylideneamino]-2-pyrrol-1-ylbenzamide?
The InChIKey is SHGJUQYBNLHQLC-RELWKKBWSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-2-18(15-9-11-16(21)12-10-15)22-23-20(25)17-7-3-4-8-19(17)24-13-5-6-14-24/h3-14H,2H2,1H3,(H,23,25)/b22-18+.
What are the key properties of N-[(E)-1-(4-fluorophenyl)propylideneamino]-2-pyrrol-1-ylbenzamide?
N-[(E)-1-(4-fluorophenyl)propylideneamino]-2-pyrrol-1-ylbenzamide has a molecular weight of 335.38 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-fluorophenyl)propylideneamino]-2-pyrrol-1-ylbenzamide is sourced from PubChem (CID 16555755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).