formaldehyde;methyl 2-[[(Z)-4-amino-5,5-difluoro-2-methylimino-5-phosphanylpent-3-enoyl]amino]-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]pentanimidate

C24H34F3N4O4P — CID 155718479

IUPACformaldehyde;methyl 2-[[(Z)-4-amino-5,5-difluoro-2-methylimino-5-phosphanylpent-3-enoyl]amino]-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]pentanimidate
SMILESC=O.C=O.CCCC(NC(=O)C(/C=C(\N)C(F)(F)P)=N\C)/C(=N/C(=C(C)C)c1cccc(F)c1)OC
InChIInChI=1S/C22H30F3N4O2P.2CH2O/c1-6-8-16(28-20(30)17(27-4)12-18(26)22(24,25)32)21(31-5)29-19(13(2)3)14-9-7-10-15(23)11-14;2*1-2/h7,9-12,16H,6,8,26,32H2,1-5H3,(H,28,30);2*1H2/b18-12-,27-17-,29-21-;;
InChIKeySKNFIXQFEFYXCT-HMDOUBEJSA-N
MW530.53 g/mol
LogP3.92
Rot. Bonds9

About formaldehyde;methyl 2-[[(Z)-4-amino-5,5-difluoro-2-methylimino-5-phosphanylpent-3-enoyl]amino]-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]pentanimidate

formaldehyde;methyl 2-[[(Z)-4-amino-5,5-difluoro-2-methylimino-5-phosphanylpent-3-enoyl]amino]-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]pentanimidate (PubChem CID 155718479) has the molecular formula C24H34F3N4O4P and a molecular weight of 530.53 g/mol. Its IUPAC name is formaldehyde;methyl 2-[[(Z)-4-amino-5,5-difluoro-2-methylimino-5-phosphanylpent-3-enoyl]amino]-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]pentanimidate.

Molecular Properties

Compound Nameformaldehyde;methyl 2-[[(Z)-4-amino-5,5-difluoro-2-methylimino-5-phosphanylpent-3-enoyl]amino]-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]pentanimidate
PubChem CID155718479
Molecular FormulaC24H34F3N4O4P
Molecular Weight530.53 g/mol
Exact Mass530.23
IUPAC Nameformaldehyde;methyl 2-[[(Z)-4-amino-5,5-difluoro-2-methylimino-5-phosphanylpent-3-enoyl]amino]-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]pentanimidate
SMILESC=O.C=O.CCCC(NC(=O)C(/C=C(\N)C(F)(F)P)=N\C)/C(=N/C(=C(C)C)c1cccc(F)c1)OC
InChIInChI=1S/C22H30F3N4O2P.2CH2O/c1-6-8-16(28-20(30)17(27-4)12-18(26)22(24,25)32)21(31-5)29-19(13(2)3)14-9-7-10-15(23)11-14;2*1-2/h7,9-12,16H,6,8,26,32H2,1-5H3,(H,28,30);2*1H2/b18-12-,27-17-,29-21-;;
InChIKeySKNFIXQFEFYXCT-HMDOUBEJSA-N
XLogP3.92
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.53
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;methyl 2-[[(Z)-4-amino-5,5-difluoro-2-methylimino-5-phosphanylpent-3-enoyl]amino]-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]pentanimidate?
The IUPAC name of formaldehyde;methyl 2-[[(Z)-4-amino-5,5-difluoro-2-methylimino-5-phosphanylpent-3-enoyl]amino]-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]pentanimidate (CID 155718479) is formaldehyde;methyl 2-[[(Z)-4-amino-5,5-difluoro-2-methylimino-5-phosphanylpent-3-enoyl]amino]-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]pentanimidate.
What is the SMILES notation for formaldehyde;methyl 2-[[(Z)-4-amino-5,5-difluoro-2-methylimino-5-phosphanylpent-3-enoyl]amino]-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]pentanimidate?
The canonical SMILES for formaldehyde;methyl 2-[[(Z)-4-amino-5,5-difluoro-2-methylimino-5-phosphanylpent-3-enoyl]amino]-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]pentanimidate is C=O.C=O.CCCC(NC(=O)C(/C=C(\N)C(F)(F)P)=N\C)/C(=N/C(=C(C)C)c1cccc(F)c1)OC.
What is the InChIKey of formaldehyde;methyl 2-[[(Z)-4-amino-5,5-difluoro-2-methylimino-5-phosphanylpent-3-enoyl]amino]-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]pentanimidate?
The InChIKey is SKNFIXQFEFYXCT-HMDOUBEJSA-N. The full InChI is InChI=1S/C22H30F3N4O2P.2CH2O/c1-6-8-16(28-20(30)17(27-4)12-18(26)22(24,25)32)21(31-5)29-19(13(2)3)14-9-7-10-15(23)11-14;2*1-2/h7,9-12,16H,6,8,26,32H2,1-5H3,(H,28,30);2*1H2/b18-12-,27-17-,29-21-;;.
What are the key properties of formaldehyde;methyl 2-[[(Z)-4-amino-5,5-difluoro-2-methylimino-5-phosphanylpent-3-enoyl]amino]-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]pentanimidate?
formaldehyde;methyl 2-[[(Z)-4-amino-5,5-difluoro-2-methylimino-5-phosphanylpent-3-enoyl]amino]-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]pentanimidate has a molecular weight of 530.53 g/mol, XLogP of 3.92, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;methyl 2-[[(Z)-4-amino-5,5-difluoro-2-methylimino-5-phosphanylpent-3-enoyl]amino]-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]pentanimidate is sourced from PubChem (CID 155718479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).