(2Z,4E)-4-N-[1-(3-fluorophenyl)-2-(1H-indol-3-yl)prop-2-enyl]hexa-2,4-diene-2,4-diamine

C23H24FN3 — CID 139374599

IUPAC(2Z,4E)-4-N-[1-(3-fluorophenyl)-2-(1H-indol-3-yl)prop-2-enyl]hexa-2,4-diene-2,4-diamine
SMILESC=C(c1c[nH]c2ccccc12)C(NC(/C=C(/C)N)=C/C)c1cccc(F)c1
InChIInChI=1S/C23H24FN3/c1-4-19(12-15(2)25)27-23(17-8-7-9-18(24)13-17)16(3)21-14-26-22-11-6-5-10-20(21)22/h4-14,23,26-27H,3,25H2,1-2H3/b15-12-,19-4+
InChIKeyQSOFCKRBOQROQF-UCDHIWJNSA-N
MW361.46 g/mol
LogP5.42
Rot. Bonds6

About (2Z,4E)-4-N-[1-(3-fluorophenyl)-2-(1H-indol-3-yl)prop-2-enyl]hexa-2,4-diene-2,4-diamine

(2Z,4E)-4-N-[1-(3-fluorophenyl)-2-(1H-indol-3-yl)prop-2-enyl]hexa-2,4-diene-2,4-diamine (PubChem CID 139374599) has the molecular formula C23H24FN3 and a molecular weight of 361.46 g/mol. Its IUPAC name is (2Z,4E)-4-N-[1-(3-fluorophenyl)-2-(1H-indol-3-yl)prop-2-enyl]hexa-2,4-diene-2,4-diamine.

Molecular Properties

Compound Name(2Z,4E)-4-N-[1-(3-fluorophenyl)-2-(1H-indol-3-yl)prop-2-enyl]hexa-2,4-diene-2,4-diamine
PubChem CID139374599
Molecular FormulaC23H24FN3
Molecular Weight361.46 g/mol
Exact Mass361.20
IUPAC Name(2Z,4E)-4-N-[1-(3-fluorophenyl)-2-(1H-indol-3-yl)prop-2-enyl]hexa-2,4-diene-2,4-diamine
SMILESC=C(c1c[nH]c2ccccc12)C(NC(/C=C(/C)N)=C/C)c1cccc(F)c1
InChIInChI=1S/C23H24FN3/c1-4-19(12-15(2)25)27-23(17-8-7-9-18(24)13-17)16(3)21-14-26-22-11-6-5-10-20(21)22/h4-14,23,26-27H,3,25H2,1-2H3/b15-12-,19-4+
InChIKeyQSOFCKRBOQROQF-UCDHIWJNSA-N
XLogP5.42
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.46
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[2-(1H-indol-3-yl)-1-phenylprop-2-enyl]aniline
CID 139374318
2-(1H-indol-3-yl)-N-methyl-1-(4-methylphenyl)prop-2-en-1-amine
CID 139374699
ethyl (3S)-3-(3-fluorophenyl)-3-(1H-indole-3-carbonylamino)propanoate
CID 163773254
3-(3-methylbut-1-en-2-yl)-1H-indole
CID 130016048
2-(3-fluorophenyl)-2-(1H-indol-3-yl)ethanol
CID 175098776
N-[(E)-(3-fluorophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 6873008
2-(3-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339255
1-(3-fluorophenyl)-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]urea
CID 92892940
N-[(2E)-4-aminopenta-2,4-dien-2-yl]-4-oxo-1H-quinoline-3-carboxamide;ethane
CID 143161684
methyl 2-acetamido-2-(3-fluorophenyl)acetate
CID 116860635
(E)-1,3-bis(1H-indol-3-yl)-N-methylbut-2-en-1-imine
CID 142337439
N'-[(1E)-2-chloro-3-(1H-indol-3-yl)buta-1,3-dienyl]ethanimidamide
CID 134556390

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-4-N-[1-(3-fluorophenyl)-2-(1H-indol-3-yl)prop-2-enyl]hexa-2,4-diene-2,4-diamine?
The IUPAC name of (2Z,4E)-4-N-[1-(3-fluorophenyl)-2-(1H-indol-3-yl)prop-2-enyl]hexa-2,4-diene-2,4-diamine (CID 139374599) is (2Z,4E)-4-N-[1-(3-fluorophenyl)-2-(1H-indol-3-yl)prop-2-enyl]hexa-2,4-diene-2,4-diamine.
What is the SMILES notation for (2Z,4E)-4-N-[1-(3-fluorophenyl)-2-(1H-indol-3-yl)prop-2-enyl]hexa-2,4-diene-2,4-diamine?
The canonical SMILES for (2Z,4E)-4-N-[1-(3-fluorophenyl)-2-(1H-indol-3-yl)prop-2-enyl]hexa-2,4-diene-2,4-diamine is C=C(c1c[nH]c2ccccc12)C(NC(/C=C(/C)N)=C/C)c1cccc(F)c1.
What is the InChIKey of (2Z,4E)-4-N-[1-(3-fluorophenyl)-2-(1H-indol-3-yl)prop-2-enyl]hexa-2,4-diene-2,4-diamine?
The InChIKey is QSOFCKRBOQROQF-UCDHIWJNSA-N. The full InChI is InChI=1S/C23H24FN3/c1-4-19(12-15(2)25)27-23(17-8-7-9-18(24)13-17)16(3)21-14-26-22-11-6-5-10-20(21)22/h4-14,23,26-27H,3,25H2,1-2H3/b15-12-,19-4+.
What are the key properties of (2Z,4E)-4-N-[1-(3-fluorophenyl)-2-(1H-indol-3-yl)prop-2-enyl]hexa-2,4-diene-2,4-diamine?
(2Z,4E)-4-N-[1-(3-fluorophenyl)-2-(1H-indol-3-yl)prop-2-enyl]hexa-2,4-diene-2,4-diamine has a molecular weight of 361.46 g/mol, XLogP of 5.42, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-N-[1-(3-fluorophenyl)-2-(1H-indol-3-yl)prop-2-enyl]hexa-2,4-diene-2,4-diamine is sourced from PubChem (CID 139374599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).