N-[5,5-difluoro-4-methyl-3-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]pent-1-en-2-yl]hydroxylamine

C21H24F2N2O — CID 144791715

IUPACN-[5,5-difluoro-4-methyl-3-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]pent-1-en-2-yl]hydroxylamine
SMILESC=C(NO)C(NC/C=C/c1ccc(-c2ccccc2)cc1)C(C)C(F)F
InChIInChI=1S/C21H24F2N2O/c1-15(21(22)23)20(16(2)25-26)24-14-6-7-17-10-12-19(13-11-17)18-8-4-3-5-9-18/h3-13,15,20-21,24-26H,2,14H2,1H3/b7-6+
InChIKeyAVDAPFCLUFEPPQ-VOTSOKGWSA-N
MW358.43 g/mol
LogP4.72
Rot. Bonds9

About N-[5,5-difluoro-4-methyl-3-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]pent-1-en-2-yl]hydroxylamine

N-[5,5-difluoro-4-methyl-3-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]pent-1-en-2-yl]hydroxylamine (PubChem CID 144791715) has the molecular formula C21H24F2N2O and a molecular weight of 358.43 g/mol. Its IUPAC name is N-[5,5-difluoro-4-methyl-3-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]pent-1-en-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[5,5-difluoro-4-methyl-3-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]pent-1-en-2-yl]hydroxylamine
PubChem CID144791715
Molecular FormulaC21H24F2N2O
Molecular Weight358.43 g/mol
Exact Mass358.19
IUPAC NameN-[5,5-difluoro-4-methyl-3-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]pent-1-en-2-yl]hydroxylamine
SMILESC=C(NO)C(NC/C=C/c1ccc(-c2ccccc2)cc1)C(C)C(F)F
InChIInChI=1S/C21H24F2N2O/c1-15(21(22)23)20(16(2)25-26)24-14-6-7-17-10-12-19(13-11-17)18-8-4-3-5-9-18/h3-13,15,20-21,24-26H,2,14H2,1H3/b7-6+
InChIKeyAVDAPFCLUFEPPQ-VOTSOKGWSA-N
XLogP4.72
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5,5-difluoro-4-methyl-3-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]pent-1-en-2-yl]hydroxylamine?
The IUPAC name of N-[5,5-difluoro-4-methyl-3-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]pent-1-en-2-yl]hydroxylamine (CID 144791715) is N-[5,5-difluoro-4-methyl-3-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]pent-1-en-2-yl]hydroxylamine.
What is the SMILES notation for N-[5,5-difluoro-4-methyl-3-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]pent-1-en-2-yl]hydroxylamine?
The canonical SMILES for N-[5,5-difluoro-4-methyl-3-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]pent-1-en-2-yl]hydroxylamine is C=C(NO)C(NC/C=C/c1ccc(-c2ccccc2)cc1)C(C)C(F)F.
What is the InChIKey of N-[5,5-difluoro-4-methyl-3-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]pent-1-en-2-yl]hydroxylamine?
The InChIKey is AVDAPFCLUFEPPQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C21H24F2N2O/c1-15(21(22)23)20(16(2)25-26)24-14-6-7-17-10-12-19(13-11-17)18-8-4-3-5-9-18/h3-13,15,20-21,24-26H,2,14H2,1H3/b7-6+.
What are the key properties of N-[5,5-difluoro-4-methyl-3-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]pent-1-en-2-yl]hydroxylamine?
N-[5,5-difluoro-4-methyl-3-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]pent-1-en-2-yl]hydroxylamine has a molecular weight of 358.43 g/mol, XLogP of 4.72, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,5-difluoro-4-methyl-3-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]pent-1-en-2-yl]hydroxylamine is sourced from PubChem (CID 144791715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).