(NZ)-N-[1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine

C24H18FN3O — CID 138403064

IUPAC(NZ)-N-[1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine
SMILESO/N=C(\c1ccc(F)cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C24H18FN3O/c25-16-11-9-15(10-12-16)24(28-29)23(19-13-26-21-7-3-1-5-17(19)21)20-14-27-22-8-4-2-6-18(20)22/h1-14,23,26-27,29H/b28-24+
InChIKeyKBFPBDDYXKHAEY-ZZIIXHQDSA-N
MW383.43 g/mol
LogP5.80
Rot. Bonds4

About (NZ)-N-[1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine

(NZ)-N-[1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine (PubChem CID 138403064) has the molecular formula C24H18FN3O and a molecular weight of 383.43 g/mol. Its IUPAC name is (NZ)-N-[1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine
PubChem CID138403064
Molecular FormulaC24H18FN3O
Molecular Weight383.43 g/mol
Exact Mass383.14
IUPAC Name(NZ)-N-[1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine
SMILESO/N=C(\c1ccc(F)cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C24H18FN3O/c25-16-11-9-15(10-12-16)24(28-29)23(19-13-26-21-7-3-1-5-17(19)21)20-14-27-22-8-4-2-6-18(20)22/h1-14,23,26-27,29H/b28-24+
InChIKeyKBFPBDDYXKHAEY-ZZIIXHQDSA-N
XLogP5.80
TPSA64.17 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.43
LogP ≤ 55.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[1-(4-bromophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine
CID 85469647
1-(4-chlorophenyl)-2,2-bis(1H-indol-3-yl)ethanone
CID 18807557
3-[(2Z)-2-(4-bromophenyl)-2-hydroxyimino-1-(5-hydroxy-1H-indol-3-yl)ethyl]-1H-indol-5-ol
CID 138403079
1-(4-fluorophenyl)-2-(1H-indol-3-yl)-2-(3-methylanilino)ethanone
CID 71505479
3-(4-fluorophenyl)-3-(1H-indol-3-yl)propanoic acid
CID 3550541
3-propan-2-yl-1H-indole
CID 12534824
4-fluoro-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbenzamide
CID 26821151
(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083
2-(3-fluorophenyl)-2-(1H-indol-3-yl)ethanol
CID 175098776
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol
CID 3806013
1-[2,2-bis(1H-indol-3-yl)ethyl]-3-(4-fluorophenyl)thiourea
CID 172720447
(1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanamine
CID 42553559

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine (CID 138403064) is (NZ)-N-[1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine is O/N=C(\c1ccc(F)cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of (NZ)-N-[1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine?
The InChIKey is KBFPBDDYXKHAEY-ZZIIXHQDSA-N. The full InChI is InChI=1S/C24H18FN3O/c25-16-11-9-15(10-12-16)24(28-29)23(19-13-26-21-7-3-1-5-17(19)21)20-14-27-22-8-4-2-6-18(20)22/h1-14,23,26-27,29H/b28-24+.
What are the key properties of (NZ)-N-[1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine?
(NZ)-N-[1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine has a molecular weight of 383.43 g/mol, XLogP of 5.80, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 138403064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).