[2-[amino(hydrazinecarbonyl)amino]-6-fluorophenyl]methyl (Z)-2-methyl-N-propan-2-ylbut-2-enimidate

C16H24FN5O2 — CID 134548124

IUPAC[2-[amino(hydrazinecarbonyl)amino]-6-fluorophenyl]methyl (Z)-2-methyl-N-propan-2-ylbut-2-enimidate
SMILESC/C=C(C)\C(=N/C(C)C)OCc1c(F)cccc1N(N)C(=O)NN
InChIInChI=1S/C16H24FN5O2/c1-5-11(4)15(20-10(2)3)24-9-12-13(17)7-6-8-14(12)22(19)16(23)21-18/h5-8,10H,9,18-19H2,1-4H3,(H,21,23)/b11-5-,20-15+
InChIKeyWWJJBKCISIMCDA-UZQCNDMASA-N
MW337.40 g/mol
LogP2.38
Rot. Bonds5

About [2-[amino(hydrazinecarbonyl)amino]-6-fluorophenyl]methyl (Z)-2-methyl-N-propan-2-ylbut-2-enimidate

[2-[amino(hydrazinecarbonyl)amino]-6-fluorophenyl]methyl (Z)-2-methyl-N-propan-2-ylbut-2-enimidate (PubChem CID 134548124) has the molecular formula C16H24FN5O2 and a molecular weight of 337.40 g/mol. Its IUPAC name is [2-[amino(hydrazinecarbonyl)amino]-6-fluorophenyl]methyl (Z)-2-methyl-N-propan-2-ylbut-2-enimidate.

Molecular Properties

Compound Name[2-[amino(hydrazinecarbonyl)amino]-6-fluorophenyl]methyl (Z)-2-methyl-N-propan-2-ylbut-2-enimidate
PubChem CID134548124
Molecular FormulaC16H24FN5O2
Molecular Weight337.40 g/mol
Exact Mass337.19
IUPAC Name[2-[amino(hydrazinecarbonyl)amino]-6-fluorophenyl]methyl (Z)-2-methyl-N-propan-2-ylbut-2-enimidate
SMILESC/C=C(C)\C(=N/C(C)C)OCc1c(F)cccc1N(N)C(=O)NN
InChIInChI=1S/C16H24FN5O2/c1-5-11(4)15(20-10(2)3)24-9-12-13(17)7-6-8-14(12)22(19)16(23)21-18/h5-8,10H,9,18-19H2,1-4H3,(H,21,23)/b11-5-,20-15+
InChIKeyWWJJBKCISIMCDA-UZQCNDMASA-N
XLogP2.38
TPSA105.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[amino(hydrazinecarbonyl)amino]-6-fluorophenyl]methyl (Z)-2-methyl-N-propan-2-ylbut-2-enimidate?
The IUPAC name of [2-[amino(hydrazinecarbonyl)amino]-6-fluorophenyl]methyl (Z)-2-methyl-N-propan-2-ylbut-2-enimidate (CID 134548124) is [2-[amino(hydrazinecarbonyl)amino]-6-fluorophenyl]methyl (Z)-2-methyl-N-propan-2-ylbut-2-enimidate.
What is the SMILES notation for [2-[amino(hydrazinecarbonyl)amino]-6-fluorophenyl]methyl (Z)-2-methyl-N-propan-2-ylbut-2-enimidate?
The canonical SMILES for [2-[amino(hydrazinecarbonyl)amino]-6-fluorophenyl]methyl (Z)-2-methyl-N-propan-2-ylbut-2-enimidate is C/C=C(C)\C(=N/C(C)C)OCc1c(F)cccc1N(N)C(=O)NN.
What is the InChIKey of [2-[amino(hydrazinecarbonyl)amino]-6-fluorophenyl]methyl (Z)-2-methyl-N-propan-2-ylbut-2-enimidate?
The InChIKey is WWJJBKCISIMCDA-UZQCNDMASA-N. The full InChI is InChI=1S/C16H24FN5O2/c1-5-11(4)15(20-10(2)3)24-9-12-13(17)7-6-8-14(12)22(19)16(23)21-18/h5-8,10H,9,18-19H2,1-4H3,(H,21,23)/b11-5-,20-15+.
What are the key properties of [2-[amino(hydrazinecarbonyl)amino]-6-fluorophenyl]methyl (Z)-2-methyl-N-propan-2-ylbut-2-enimidate?
[2-[amino(hydrazinecarbonyl)amino]-6-fluorophenyl]methyl (Z)-2-methyl-N-propan-2-ylbut-2-enimidate has a molecular weight of 337.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[amino(hydrazinecarbonyl)amino]-6-fluorophenyl]methyl (Z)-2-methyl-N-propan-2-ylbut-2-enimidate is sourced from PubChem (CID 134548124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).