2-fluoro-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide

C19H18FN3O2 — CID 9235662

IUPAC2-fluoro-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide
SMILESCc1cc(/C=N\NC(=O)c2ccccc2F)c(C)n1Cc1ccco1
InChIInChI=1S/C19H18FN3O2/c1-13-10-15(14(2)23(13)12-16-6-5-9-25-16)11-21-22-19(24)17-7-3-4-8-18(17)20/h3-11H,12H2,1-2H3,(H,22,24)/b21-11-
InChIKeyNSWDAFPDQKSMDW-NHDPSOOVSA-N
MW339.37 g/mol
LogP3.65
Rot. Bonds5

About 2-fluoro-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide

2-fluoro-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide (PubChem CID 9235662) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-fluoro-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide
PubChem CID9235662
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name2-fluoro-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide
SMILESCc1cc(/C=N\NC(=O)c2ccccc2F)c(C)n1Cc1ccco1
InChIInChI=1S/C19H18FN3O2/c1-13-10-15(14(2)23(13)12-16-6-5-9-25-16)11-21-22-19(24)17-7-3-4-8-18(17)20/h3-11H,12H2,1-2H3,(H,22,24)/b21-11-
InChIKeyNSWDAFPDQKSMDW-NHDPSOOVSA-N
XLogP3.65
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-1H-pyrrole-2-carboxamide
CID 9026741
N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-methylaniline
CID 9059330
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 9258036
2-(2-fluorophenyl)sulfanyl-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 7484372
1-(3,4-dimethoxyphenyl)-3-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]thiourea
CID 9216259
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
2-fluoro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6907963
2-fluoro-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 757986
2-fluoro-N-[(2-hydroxy-4-methylphenyl)methylideneamino]benzamide
CID 3426419
N-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 2593226
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212
N-[(Z)-(2-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 5402053

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide?
The IUPAC name of 2-fluoro-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide (CID 9235662) is 2-fluoro-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide.
What is the SMILES notation for 2-fluoro-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide?
The canonical SMILES for 2-fluoro-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide is Cc1cc(/C=N\NC(=O)c2ccccc2F)c(C)n1Cc1ccco1.
What is the InChIKey of 2-fluoro-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide?
The InChIKey is NSWDAFPDQKSMDW-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-13-10-15(14(2)23(13)12-16-6-5-9-25-16)11-21-22-19(24)17-7-3-4-8-18(17)20/h3-11H,12H2,1-2H3,(H,22,24)/b21-11-.
What are the key properties of 2-fluoro-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide?
2-fluoro-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide has a molecular weight of 339.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide is sourced from PubChem (CID 9235662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).