N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydroxylamine

C16H13FN2O — CID 3972019

IUPACN-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydroxylamine
SMILESON=Cc1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C16H13FN2O/c17-14-7-5-12(6-8-14)10-19-11-13(9-18-20)15-3-1-2-4-16(15)19/h1-9,11,20H,10H2
InChIKeyJBYOZROPLBDRKO-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.64
Rot. Bonds3

About N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydroxylamine

N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydroxylamine (PubChem CID 3972019) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydroxylamine
PubChem CID3972019
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC NameN-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydroxylamine
SMILESON=Cc1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C16H13FN2O/c17-14-7-5-12(6-8-14)10-19-11-13(9-18-20)15-3-1-2-4-16(15)19/h1-9,11,20H,10H2
InChIKeyJBYOZROPLBDRKO-UHFFFAOYSA-N
XLogP3.64
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

methyl N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate
CID 5420937
1-amino-3-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]thiourea
CID 86579605
4-amino-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 24818544
N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-methylbenzamide
CID 19060958
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-3-carboxamide
CID 1275740
17-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 3471568
1-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine
CID 1276386
N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245785
(2Z,5E)-6-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid
CID 73334597
(E)-2-cyano-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]prop-2-enamide
CID 6117816
2-(2,4-dimethylphenyl)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 92657719
[1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
CID 963177

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydroxylamine?
The IUPAC name of N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydroxylamine (CID 3972019) is N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydroxylamine?
The canonical SMILES for N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydroxylamine is ON=Cc1cn(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydroxylamine?
The InChIKey is JBYOZROPLBDRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-14-7-5-12(6-8-14)10-19-11-13(9-18-20)15-3-1-2-4-16(15)19/h1-9,11,20H,10H2.
What are the key properties of N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydroxylamine?
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydroxylamine has a molecular weight of 268.29 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydroxylamine is sourced from PubChem (CID 3972019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).