N-[(4-fluorophenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide

C18H16FN3O — CID 74816610

IUPACN-[(4-fluorophenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NN=Cc1ccc(F)cc1
InChIInChI=1S/C18H16FN3O/c19-15-8-5-13(6-9-15)11-21-22-18(23)10-7-14-12-20-17-4-2-1-3-16(14)17/h1-6,8-9,11-12,20H,7,10H2,(H,22,23)
InChIKeyHZJFIJCSESXZJF-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.39
Rot. Bonds5

About N-[(4-fluorophenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide

N-[(4-fluorophenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide (PubChem CID 74816610) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide
PubChem CID74816610
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC NameN-[(4-fluorophenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NN=Cc1ccc(F)cc1
InChIInChI=1S/C18H16FN3O/c19-15-8-5-13(6-9-15)11-21-22-18(23)10-7-14-12-20-17-4-2-1-3-16(14)17/h1-6,8-9,11-12,20H,7,10H2,(H,22,23)
InChIKeyHZJFIJCSESXZJF-UHFFFAOYSA-N
XLogP3.39
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.39
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

N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 136627449
N-[(Z)-furan-2-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide
CID 6049004
2-(1H-indol-3-yl)-N-[(E)-(4-nitrosophenyl)methylideneamino]acetamide
CID 143326661
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 5371768
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide
CID 6124304
N,N'-bis[(Z)-(4-fluorophenyl)methylideneamino]decanediamide
CID 6277081
2-(1H-indol-3-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 90481709
N-[(E)-(4-fluorophenyl)methylideneamino]-2-phenylacetamide
CID 6899001
N-(1,5-diphenylpenta-1,4-dien-3-ylideneamino)-3-(1H-indol-3-yl)propanamide
CID 2862401
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
N-[(3,4-dibromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 6736385
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[(4-fluorophenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide (CID 74816610) is N-[(4-fluorophenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)NN=Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide?
The InChIKey is HZJFIJCSESXZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c19-15-8-5-13(6-9-15)11-21-22-18(23)10-7-14-12-20-17-4-2-1-3-16(14)17/h1-6,8-9,11-12,20H,7,10H2,(H,22,23).
What are the key properties of N-[(4-fluorophenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide?
N-[(4-fluorophenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide has a molecular weight of 309.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 74816610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).