2-fluoro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide

C12H10FN3O — CID 136713264

IUPAC2-fluoro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc[nH]1)c1ccccc1F
InChIInChI=1S/C12H10FN3O/c13-11-6-2-1-5-10(11)12(17)16-15-8-9-4-3-7-14-9/h1-8,14H,(H,16,17)/b15-8-
InChIKeySYWXOCIPSVNNEY-NVNXTCNLSA-N
MW231.23 g/mol
LogP1.92
Rot. Bonds3

About 2-fluoro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide

2-fluoro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide (PubChem CID 136713264) has the molecular formula C12H10FN3O and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-fluoro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
PubChem CID136713264
Molecular FormulaC12H10FN3O
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC Name2-fluoro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc[nH]1)c1ccccc1F
InChIInChI=1S/C12H10FN3O/c13-11-6-2-1-5-10(11)12(17)16-15-8-9-4-3-7-14-9/h1-8,14H,(H,16,17)/b15-8-
InChIKeySYWXOCIPSVNNEY-NVNXTCNLSA-N
XLogP1.92
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 51.92
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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Related Compounds

2-chloro-N-(1H-pyrrol-2-ylmethylideneamino)benzamide
CID 904379
2-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135688246
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
4-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135521573
2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135683096
3-bromo-N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridine-4-carboxamide
CID 137226391
N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridine-4-carboxamide
CID 135444093
N-[(E)-1H-pyrrol-2-ylmethylideneamino]-N'-[(Z)-1H-pyrrol-2-ylmethylideneamino]butanediamide
CID 136826339
4-benzamido-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135696885
2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 5108019
2-[(2-chlorophenyl)methoxy]-N-(1H-pyrrol-2-ylmethylideneamino)benzamide
CID 2477343
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2-fluorobenzoyl)amino]benzamide
CID 94831737

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide?
The IUPAC name of 2-fluoro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide (CID 136713264) is 2-fluoro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 2-fluoro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide?
The canonical SMILES for 2-fluoro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide is O=C(N/N=C\c1ccc[nH]1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide?
The InChIKey is SYWXOCIPSVNNEY-NVNXTCNLSA-N. The full InChI is InChI=1S/C12H10FN3O/c13-11-6-2-1-5-10(11)12(17)16-15-8-9-4-3-7-14-9/h1-8,14H,(H,16,17)/b15-8-.
What are the key properties of 2-fluoro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide?
2-fluoro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide has a molecular weight of 231.23 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 136713264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).