(NE)-N-[[2-(2-fluorophenyl)-1H-indol-3-yl]-phenylmethylidene]hydroxylamine

C21H15FN2O — CID 135747054

IUPAC(NE)-N-[[2-(2-fluorophenyl)-1H-indol-3-yl]-phenylmethylidene]hydroxylamine
SMILESO/N=C(\c1ccccc1)c1c(-c2ccccc2F)[nH]c2ccccc12
InChIInChI=1S/C21H15FN2O/c22-17-12-6-4-10-15(17)21-19(16-11-5-7-13-18(16)23-21)20(24-25)14-8-2-1-3-9-14/h1-13,23,25H/b24-20+
InChIKeyRTYSHIVHWUSAOK-HIXSDJFHSA-N
MW330.36 g/mol
LogP5.20
Rot. Bonds3

About (NE)-N-[[2-(2-fluorophenyl)-1H-indol-3-yl]-phenylmethylidene]hydroxylamine

(NE)-N-[[2-(2-fluorophenyl)-1H-indol-3-yl]-phenylmethylidene]hydroxylamine (PubChem CID 135747054) has the molecular formula C21H15FN2O and a molecular weight of 330.36 g/mol. Its IUPAC name is (NE)-N-[[2-(2-fluorophenyl)-1H-indol-3-yl]-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[2-(2-fluorophenyl)-1H-indol-3-yl]-phenylmethylidene]hydroxylamine
PubChem CID135747054
Molecular FormulaC21H15FN2O
Molecular Weight330.36 g/mol
Exact Mass330.12
IUPAC Name(NE)-N-[[2-(2-fluorophenyl)-1H-indol-3-yl]-phenylmethylidene]hydroxylamine
SMILESO/N=C(\c1ccccc1)c1c(-c2ccccc2F)[nH]c2ccccc12
InChIInChI=1S/C21H15FN2O/c22-17-12-6-4-10-15(17)21-19(16-11-5-7-13-18(16)23-21)20(24-25)14-8-2-1-3-9-14/h1-13,23,25H/b24-20+
InChIKeyRTYSHIVHWUSAOK-HIXSDJFHSA-N
XLogP5.20
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.36
LogP ≤ 55.20
H-Bond Donors ≤ 52
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'}

Analyze (NE)-N-[[2-(2-fluorophenyl)-1H-indol-3-yl]-phenylmethylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-fluorophenyl)-1H-indol-3-yl]ethanone
CID 13381171
(2-fluoro-1H-indol-3-yl)-phenylmethanone
CID 175455866
(NE)-N-[[2-amino-3-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
CID 59879957
3-(2-fluorophenyl)-4-hydroxy-1H-quinolin-2-one
CID 54714378
(NZ)-N-[(2,6-dichlorophenyl)-phenylmethylidene]hydroxylamine
CID 101190052
2-[5-ethoxy-2-(2-fluorophenyl)-1H-indol-3-yl]acetic acid
CID 4213558
3-benzoyl-1H-indole-2-carboxylic acid
CID 22917099
2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-1H-indol-3-yl]-1H-indol-3-one
CID 155664469
6-chloro-4-(2-fluorophenyl)-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1H-quinolin-2-one
CID 135712882
4-fluoro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol
CID 138548283
4-fluoro-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol
CID 137013229
benzoic acid;9H-carbazole
CID 162147282

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[2-(2-fluorophenyl)-1H-indol-3-yl]-phenylmethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[2-(2-fluorophenyl)-1H-indol-3-yl]-phenylmethylidene]hydroxylamine (CID 135747054) is (NE)-N-[[2-(2-fluorophenyl)-1H-indol-3-yl]-phenylmethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[2-(2-fluorophenyl)-1H-indol-3-yl]-phenylmethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[2-(2-fluorophenyl)-1H-indol-3-yl]-phenylmethylidene]hydroxylamine is O/N=C(\c1ccccc1)c1c(-c2ccccc2F)[nH]c2ccccc12.
What is the InChIKey of (NE)-N-[[2-(2-fluorophenyl)-1H-indol-3-yl]-phenylmethylidene]hydroxylamine?
The InChIKey is RTYSHIVHWUSAOK-HIXSDJFHSA-N. The full InChI is InChI=1S/C21H15FN2O/c22-17-12-6-4-10-15(17)21-19(16-11-5-7-13-18(16)23-21)20(24-25)14-8-2-1-3-9-14/h1-13,23,25H/b24-20+.
What are the key properties of (NE)-N-[[2-(2-fluorophenyl)-1H-indol-3-yl]-phenylmethylidene]hydroxylamine?
(NE)-N-[[2-(2-fluorophenyl)-1H-indol-3-yl]-phenylmethylidene]hydroxylamine has a molecular weight of 330.36 g/mol, XLogP of 5.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[2-(2-fluorophenyl)-1H-indol-3-yl]-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 135747054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).