N-[1-(4-bromophenyl)-3-phenylbut-3-enylidene]hydroxylamine

C16H14BrNO — CID 166520929

IUPACN-[1-(4-bromophenyl)-3-phenylbut-3-enylidene]hydroxylamine
SMILESC=C(CC(=NO)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C16H14BrNO/c1-12(13-5-3-2-4-6-13)11-16(18-19)14-7-9-15(17)10-8-14/h2-10,19H,1,11H2
InChIKeyISIRRTHMHLFYIA-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.73
Rot. Bonds4

About N-[1-(4-bromophenyl)-3-phenylbut-3-enylidene]hydroxylamine

N-[1-(4-bromophenyl)-3-phenylbut-3-enylidene]hydroxylamine (PubChem CID 166520929) has the molecular formula C16H14BrNO and a molecular weight of 316.20 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-3-phenylbut-3-enylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-3-phenylbut-3-enylidene]hydroxylamine
PubChem CID166520929
Molecular FormulaC16H14BrNO
Molecular Weight316.20 g/mol
Exact Mass315.03
IUPAC NameN-[1-(4-bromophenyl)-3-phenylbut-3-enylidene]hydroxylamine
SMILESC=C(CC(=NO)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C16H14BrNO/c1-12(13-5-3-2-4-6-13)11-16(18-19)14-7-9-15(17)10-8-14/h2-10,19H,1,11H2
InChIKeyISIRRTHMHLFYIA-UHFFFAOYSA-N
XLogP4.73
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.73
H-Bond Donors ≤ 51
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-[(3E)-3-hydroxyimino-1,3-diphenylpropylidene]hydroxylamine
CID 6297502
CID 134863341
CID 134863341
(NE)-N-[(4Z)-4-[4-(4-bromophenyl)phenyl]-4-hydroxyiminobutan-2-ylidene]hydroxylamine
CID 122451039
copper;2-hydroxyimino-2-phenylethanol
CID 88811267
(NZ)-N-(2-chloro-1-phenylethylidene)hydroxylamine
CID 139192653
3-phenylbut-3-enoic acid
CID 10702134
(4E)-4-[(4-bromobenzoyl)hydrazinylidene]-4-phenylbutanoic acid
CID 6391991
(2R,4E)-4-(4-bromophenyl)-2-diphenylphosphoryl-4-hydroxyiminobutanoic acid
CID 92535132
N-[1-(4-bromophenyl)-3-diphenylphosphoryl-3-phenylpropylidene]hydroxylamine
CID 133064792
1-bromo-4-[3-[2-(2-methylphenyl)phenyl]prop-1-en-2-yl]benzene
CID 167179403
(E,5Z)-5-hydroxyimino-1,3,5-triphenylpent-2-en-1-one
CID 134868095
[2-(4-bromophenyl)-2-hydroxyiminoethyl] 4-bromobenzoate
CID 71950569

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-3-phenylbut-3-enylidene]hydroxylamine?
The IUPAC name of N-[1-(4-bromophenyl)-3-phenylbut-3-enylidene]hydroxylamine (CID 166520929) is N-[1-(4-bromophenyl)-3-phenylbut-3-enylidene]hydroxylamine.
What is the SMILES notation for N-[1-(4-bromophenyl)-3-phenylbut-3-enylidene]hydroxylamine?
The canonical SMILES for N-[1-(4-bromophenyl)-3-phenylbut-3-enylidene]hydroxylamine is C=C(CC(=NO)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of N-[1-(4-bromophenyl)-3-phenylbut-3-enylidene]hydroxylamine?
The InChIKey is ISIRRTHMHLFYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO/c1-12(13-5-3-2-4-6-13)11-16(18-19)14-7-9-15(17)10-8-14/h2-10,19H,1,11H2.
What are the key properties of N-[1-(4-bromophenyl)-3-phenylbut-3-enylidene]hydroxylamine?
N-[1-(4-bromophenyl)-3-phenylbut-3-enylidene]hydroxylamine has a molecular weight of 316.20 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-3-phenylbut-3-enylidene]hydroxylamine is sourced from PubChem (CID 166520929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).