N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-methylindole-4-carboxamide

C19H16FN3O2 — CID 166405453

IUPACN-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-methylindole-4-carboxamide
SMILESC=CC(=O)Nc1cc(NC(=O)c2cccc3c2ccn3C)ccc1F
InChIInChI=1S/C19H16FN3O2/c1-3-18(24)22-16-11-12(7-8-15(16)20)21-19(25)14-5-4-6-17-13(14)9-10-23(17)2/h3-11H,1H2,2H3,(H,21,25)(H,22,24)
InChIKeyJNCGTSBPSLPZAH-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.69
Rot. Bonds4

About N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-methylindole-4-carboxamide

N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-methylindole-4-carboxamide (PubChem CID 166405453) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-methylindole-4-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-methylindole-4-carboxamide
PubChem CID166405453
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC NameN-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-methylindole-4-carboxamide
SMILESC=CC(=O)Nc1cc(NC(=O)c2cccc3c2ccn3C)ccc1F
InChIInChI=1S/C19H16FN3O2/c1-3-18(24)22-16-11-12(7-8-15(16)20)21-19(25)14-5-4-6-17-13(14)9-10-23(17)2/h3-11H,1H2,2H3,(H,21,25)(H,22,24)
InChIKeyJNCGTSBPSLPZAH-UHFFFAOYSA-N
XLogP3.69
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-(3-methylsulfanylphenyl)indole-4-carboxamide
CID 51053502
N-(5-acetamido-2-methoxyphenyl)-1-methylindole-4-carboxamide
CID 51108315
1-methyl-N-(4-phenoxyphenyl)indole-4-carboxamide
CID 112523940
1-(3-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-3-carboxamide
CID 166405448
5-amino-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 154838876
5-cyclopropyl-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 166403649
1-methyl-N-(1-methylimidazol-2-yl)indole-4-carboxamide
CID 134712669
N-(2,3-dichlorophenyl)-1-methylindole-4-carboxamide
CID 112524553
N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 167951141
N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 166404942
1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]indole-4-carboxamide
CID 131950587
1-(1,1-dioxothiolan-3-yl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-3-propan-2-ylpyrazole-4-carboxamide
CID 166404937

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-methylindole-4-carboxamide?
The IUPAC name of N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-methylindole-4-carboxamide (CID 166405453) is N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-methylindole-4-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-methylindole-4-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-methylindole-4-carboxamide is C=CC(=O)Nc1cc(NC(=O)c2cccc3c2ccn3C)ccc1F.
What is the InChIKey of N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-methylindole-4-carboxamide?
The InChIKey is JNCGTSBPSLPZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-3-18(24)22-16-11-12(7-8-15(16)20)21-19(25)14-5-4-6-17-13(14)9-10-23(17)2/h3-11H,1H2,2H3,(H,21,25)(H,22,24).
What are the key properties of N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-methylindole-4-carboxamide?
N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-methylindole-4-carboxamide has a molecular weight of 337.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-methylindole-4-carboxamide is sourced from PubChem (CID 166405453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).