3-fluoro-N-[2-(1H-indol-3-yl)-1-phenylprop-2-enyl]aniline

C23H19FN2 — CID 139374318

IUPAC3-fluoro-N-[2-(1H-indol-3-yl)-1-phenylprop-2-enyl]aniline
SMILESC=C(c1c[nH]c2ccccc12)C(Nc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C23H19FN2/c1-16(21-15-25-22-13-6-5-12-20(21)22)23(17-8-3-2-4-9-17)26-19-11-7-10-18(24)14-19/h2-15,23,25-26H,1H2
InChIKeyCBWDBDNKVQKVKT-UHFFFAOYSA-N
MW342.42 g/mol
LogP6.17
Rot. Bonds5

About 3-fluoro-N-[2-(1H-indol-3-yl)-1-phenylprop-2-enyl]aniline

3-fluoro-N-[2-(1H-indol-3-yl)-1-phenylprop-2-enyl]aniline (PubChem CID 139374318) has the molecular formula C23H19FN2 and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-fluoro-N-[2-(1H-indol-3-yl)-1-phenylprop-2-enyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[2-(1H-indol-3-yl)-1-phenylprop-2-enyl]aniline
PubChem CID139374318
Molecular FormulaC23H19FN2
Molecular Weight342.42 g/mol
Exact Mass342.15
IUPAC Name3-fluoro-N-[2-(1H-indol-3-yl)-1-phenylprop-2-enyl]aniline
SMILESC=C(c1c[nH]c2ccccc12)C(Nc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C23H19FN2/c1-16(21-15-25-22-13-6-5-12-20(21)22)23(17-8-3-2-4-9-17)26-19-11-7-10-18(24)14-19/h2-15,23,25-26H,1H2
InChIKeyCBWDBDNKVQKVKT-UHFFFAOYSA-N
XLogP6.17
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.42
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-hydroxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone
CID 86729082
(2S)-2-[3-(hydroxymethyl)anilino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 41146002
(2Z,4E)-4-N-[1-(3-fluorophenyl)-2-(1H-indol-3-yl)prop-2-enyl]hexa-2,4-diene-2,4-diamine
CID 139374599
N-[2-(5-butyl-1H-indol-3-yl)-1-phenylprop-2-enyl]-3-methylaniline
CID 139374477
1-(3-fluorophenyl)-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]urea
CID 92892940
1-(1H-indol-3-yl)-2-(3-methylsulfonylanilino)-2-phenylethanone
CID 86728635
2-(1H-indol-3-yl)-N-methyl-1-(4-methylphenyl)prop-2-en-1-amine
CID 139374699
2-(3-fluoroanilino)-2-(4-fluorophenyl)acetic acid
CID 54890833
(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-1-(1H-indol-3-yl)-2-phenylethanone
CID 39912469
3-(3-methylbut-1-en-2-yl)-1H-indole
CID 130016048
2-(3-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339255
2-(3-fluorophenyl)-2-(1H-indol-3-yl)ethanol
CID 175098776

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(1H-indol-3-yl)-1-phenylprop-2-enyl]aniline?
The IUPAC name of 3-fluoro-N-[2-(1H-indol-3-yl)-1-phenylprop-2-enyl]aniline (CID 139374318) is 3-fluoro-N-[2-(1H-indol-3-yl)-1-phenylprop-2-enyl]aniline.
What is the SMILES notation for 3-fluoro-N-[2-(1H-indol-3-yl)-1-phenylprop-2-enyl]aniline?
The canonical SMILES for 3-fluoro-N-[2-(1H-indol-3-yl)-1-phenylprop-2-enyl]aniline is C=C(c1c[nH]c2ccccc12)C(Nc1cccc(F)c1)c1ccccc1.
What is the InChIKey of 3-fluoro-N-[2-(1H-indol-3-yl)-1-phenylprop-2-enyl]aniline?
The InChIKey is CBWDBDNKVQKVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2/c1-16(21-15-25-22-13-6-5-12-20(21)22)23(17-8-3-2-4-9-17)26-19-11-7-10-18(24)14-19/h2-15,23,25-26H,1H2.
What are the key properties of 3-fluoro-N-[2-(1H-indol-3-yl)-1-phenylprop-2-enyl]aniline?
3-fluoro-N-[2-(1H-indol-3-yl)-1-phenylprop-2-enyl]aniline has a molecular weight of 342.42 g/mol, XLogP of 6.17, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(1H-indol-3-yl)-1-phenylprop-2-enyl]aniline is sourced from PubChem (CID 139374318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).