N-[(Z)-1-(4-fluorophenyl)pentylideneamino]-1H-pyrrole-2-carboxamide

C16H18FN3O — CID 9026554

IUPACN-[(Z)-1-(4-fluorophenyl)pentylideneamino]-1H-pyrrole-2-carboxamide
SMILESCCCC/C(=N/NC(=O)c1ccc[nH]1)c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O/c1-2-3-5-14(12-7-9-13(17)10-8-12)19-20-16(21)15-6-4-11-18-15/h4,6-11,18H,2-3,5H2,1H3,(H,20,21)/b19-14-
InChIKeyKSJCTFKAVSSNNT-RGEXLXHISA-N
MW287.34 g/mol
LogP3.48
Rot. Bonds6

About N-[(Z)-1-(4-fluorophenyl)pentylideneamino]-1H-pyrrole-2-carboxamide

N-[(Z)-1-(4-fluorophenyl)pentylideneamino]-1H-pyrrole-2-carboxamide (PubChem CID 9026554) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[(Z)-1-(4-fluorophenyl)pentylideneamino]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-fluorophenyl)pentylideneamino]-1H-pyrrole-2-carboxamide
PubChem CID9026554
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-[(Z)-1-(4-fluorophenyl)pentylideneamino]-1H-pyrrole-2-carboxamide
SMILESCCCC/C(=N/NC(=O)c1ccc[nH]1)c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O/c1-2-3-5-14(12-7-9-13(17)10-8-12)19-20-16(21)15-6-4-11-18-15/h4,6-11,18H,2-3,5H2,1H3,(H,20,21)/b19-14-
InChIKeyKSJCTFKAVSSNNT-RGEXLXHISA-N
XLogP3.48
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-fluorophenyl)pentylideneamino]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(Z)-1-(4-fluorophenyl)pentylideneamino]-1H-pyrrole-2-carboxamide (CID 9026554) is N-[(Z)-1-(4-fluorophenyl)pentylideneamino]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-fluorophenyl)pentylideneamino]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-fluorophenyl)pentylideneamino]-1H-pyrrole-2-carboxamide is CCCC/C(=N/NC(=O)c1ccc[nH]1)c1ccc(F)cc1.
What is the InChIKey of N-[(Z)-1-(4-fluorophenyl)pentylideneamino]-1H-pyrrole-2-carboxamide?
The InChIKey is KSJCTFKAVSSNNT-RGEXLXHISA-N. The full InChI is InChI=1S/C16H18FN3O/c1-2-3-5-14(12-7-9-13(17)10-8-12)19-20-16(21)15-6-4-11-18-15/h4,6-11,18H,2-3,5H2,1H3,(H,20,21)/b19-14-.
What are the key properties of N-[(Z)-1-(4-fluorophenyl)pentylideneamino]-1H-pyrrole-2-carboxamide?
N-[(Z)-1-(4-fluorophenyl)pentylideneamino]-1H-pyrrole-2-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-fluorophenyl)pentylideneamino]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 9026554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).