N-[1-(4-fluorophenyl)indol-5-yl]prop-2-enamide

C17H13FN2O — CID 156881349

IUPACN-[1-(4-fluorophenyl)indol-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(ccn2-c2ccc(F)cc2)c1
InChIInChI=1S/C17H13FN2O/c1-2-17(21)19-14-5-8-16-12(11-14)9-10-20(16)15-6-3-13(18)4-7-15/h2-11H,1H2,(H,19,21)
InChIKeyODYMWVUXFALGLE-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.89
Rot. Bonds3

About N-[1-(4-fluorophenyl)indol-5-yl]prop-2-enamide

N-[1-(4-fluorophenyl)indol-5-yl]prop-2-enamide (PubChem CID 156881349) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)indol-5-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)indol-5-yl]prop-2-enamide
PubChem CID156881349
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC NameN-[1-(4-fluorophenyl)indol-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(ccn2-c2ccc(F)cc2)c1
InChIInChI=1S/C17H13FN2O/c1-2-17(21)19-14-5-8-16-12(11-14)9-10-20(16)15-6-3-13(18)4-7-15/h2-11H,1H2,(H,19,21)
InChIKeyODYMWVUXFALGLE-UHFFFAOYSA-N
XLogP3.89
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[1-(4-fluorophenyl)indol-5-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[4-(trifluoromethyl)phenyl]indol-5-yl]but-3-enamide
CID 156881407
4-(5-fluoroindol-1-yl)benzoic acid
CID 56689281
[1-(4-fluorophenyl)indol-5-yl]-phenylmethanone
CID 134096101
N-(2H-isoindol-5-yl)prop-2-enamide
CID 164518553
N-[1-[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]indol-5-yl]prop-2-enamide
CID 171725392
N-[3-fluoro-4-(4-fluorophenoxy)phenyl]prop-2-enamide
CID 167449680
1-(4-fluorophenyl)pyrrolo[3,2-c]pyridine
CID 66922198
N-(1H-indol-5-yl)prop-2-enamide
CID 61251524
N-[1-[4-(trifluoromethyl)phenyl]indazol-6-yl]prop-2-enamide
CID 169173148
N-(6-bromonaphthalen-2-yl)prop-2-enamide
CID 81259787
N-[1-[(3-methylsulfonylphenyl)methyl]indol-5-yl]prop-2-enamide
CID 156881383
N-[1-[(3-cyclopropylphenyl)methyl]indol-5-yl]prop-2-enamide
CID 156881420

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)indol-5-yl]prop-2-enamide?
The IUPAC name of N-[1-(4-fluorophenyl)indol-5-yl]prop-2-enamide (CID 156881349) is N-[1-(4-fluorophenyl)indol-5-yl]prop-2-enamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)indol-5-yl]prop-2-enamide?
The canonical SMILES for N-[1-(4-fluorophenyl)indol-5-yl]prop-2-enamide is C=CC(=O)Nc1ccc2c(ccn2-c2ccc(F)cc2)c1.
What is the InChIKey of N-[1-(4-fluorophenyl)indol-5-yl]prop-2-enamide?
The InChIKey is ODYMWVUXFALGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c1-2-17(21)19-14-5-8-16-12(11-14)9-10-20(16)15-6-3-13(18)4-7-15/h2-11H,1H2,(H,19,21).
What are the key properties of N-[1-(4-fluorophenyl)indol-5-yl]prop-2-enamide?
N-[1-(4-fluorophenyl)indol-5-yl]prop-2-enamide has a molecular weight of 280.30 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)indol-5-yl]prop-2-enamide is sourced from PubChem (CID 156881349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).