(Z)-2-[4-(4-chloro-2-fluorophenyl)phenyl]-2-hydrazinylethenamine;cyclopentane;propanamide

C22H30ClFN4O — CID 144782264

IUPAC(Z)-2-[4-(4-chloro-2-fluorophenyl)phenyl]-2-hydrazinylethenamine;cyclopentane;propanamide
SMILESC1CCCC1.CCC(N)=O.N/C=C(\NN)c1ccc(-c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C14H13ClFN3.C5H10.C3H7NO/c15-11-5-6-12(13(16)7-11)9-1-3-10(4-2-9)14(8-17)19-18;1-2-4-5-3-1;1-2-3(4)5/h1-8,19H,17-18H2;1-5H2;2H2,1H3,(H2,4,5)/b14-8-;;
InChIKeyANXNFOHIHUKGAC-KPHFHJPJSA-N
MW420.96 g/mol
LogP4.70
Rot. Bonds4

About (Z)-2-[4-(4-chloro-2-fluorophenyl)phenyl]-2-hydrazinylethenamine;cyclopentane;propanamide

(Z)-2-[4-(4-chloro-2-fluorophenyl)phenyl]-2-hydrazinylethenamine;cyclopentane;propanamide (PubChem CID 144782264) has the molecular formula C22H30ClFN4O and a molecular weight of 420.96 g/mol. Its IUPAC name is (Z)-2-[4-(4-chloro-2-fluorophenyl)phenyl]-2-hydrazinylethenamine;cyclopentane;propanamide.

Molecular Properties

Compound Name(Z)-2-[4-(4-chloro-2-fluorophenyl)phenyl]-2-hydrazinylethenamine;cyclopentane;propanamide
PubChem CID144782264
Molecular FormulaC22H30ClFN4O
Molecular Weight420.96 g/mol
Exact Mass420.21
IUPAC Name(Z)-2-[4-(4-chloro-2-fluorophenyl)phenyl]-2-hydrazinylethenamine;cyclopentane;propanamide
SMILESC1CCCC1.CCC(N)=O.N/C=C(\NN)c1ccc(-c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C14H13ClFN3.C5H10.C3H7NO/c15-11-5-6-12(13(16)7-11)9-1-3-10(4-2-9)14(8-17)19-18;1-2-4-5-3-1;1-2-3(4)5/h1-8,19H,17-18H2;1-5H2;2H2,1H3,(H2,4,5)/b14-8-;;
InChIKeyANXNFOHIHUKGAC-KPHFHJPJSA-N
XLogP4.70
TPSA107.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 54.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 118621704
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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[4-(4-chloro-2-fluorophenyl)phenyl]-2-hydrazinylethenamine;cyclopentane;propanamide?
The IUPAC name of (Z)-2-[4-(4-chloro-2-fluorophenyl)phenyl]-2-hydrazinylethenamine;cyclopentane;propanamide (CID 144782264) is (Z)-2-[4-(4-chloro-2-fluorophenyl)phenyl]-2-hydrazinylethenamine;cyclopentane;propanamide.
What is the SMILES notation for (Z)-2-[4-(4-chloro-2-fluorophenyl)phenyl]-2-hydrazinylethenamine;cyclopentane;propanamide?
The canonical SMILES for (Z)-2-[4-(4-chloro-2-fluorophenyl)phenyl]-2-hydrazinylethenamine;cyclopentane;propanamide is C1CCCC1.CCC(N)=O.N/C=C(\NN)c1ccc(-c2ccc(Cl)cc2F)cc1.
What is the InChIKey of (Z)-2-[4-(4-chloro-2-fluorophenyl)phenyl]-2-hydrazinylethenamine;cyclopentane;propanamide?
The InChIKey is ANXNFOHIHUKGAC-KPHFHJPJSA-N. The full InChI is InChI=1S/C14H13ClFN3.C5H10.C3H7NO/c15-11-5-6-12(13(16)7-11)9-1-3-10(4-2-9)14(8-17)19-18;1-2-4-5-3-1;1-2-3(4)5/h1-8,19H,17-18H2;1-5H2;2H2,1H3,(H2,4,5)/b14-8-;;.
What are the key properties of (Z)-2-[4-(4-chloro-2-fluorophenyl)phenyl]-2-hydrazinylethenamine;cyclopentane;propanamide?
(Z)-2-[4-(4-chloro-2-fluorophenyl)phenyl]-2-hydrazinylethenamine;cyclopentane;propanamide has a molecular weight of 420.96 g/mol, XLogP of 4.70, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[4-(4-chloro-2-fluorophenyl)phenyl]-2-hydrazinylethenamine;cyclopentane;propanamide is sourced from PubChem (CID 144782264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).