N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diaminomethylidenehydrazinylidene)acetamide

C10H9ClF3N5O — CID 44531399

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diaminomethylidenehydrazinylidene)acetamide
SMILESNC(N)=NN=CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H9ClF3N5O/c11-7-2-1-5(3-6(7)10(12,13)14)18-8(20)4-17-19-9(15)16/h1-4H,(H,18,20)(H4,15,16,19)
InChIKeyPEHXOVIJIGYOTR-UHFFFAOYSA-N
MW307.66 g/mol
LogP1.56
Rot. Bonds3

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diaminomethylidenehydrazinylidene)acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diaminomethylidenehydrazinylidene)acetamide (PubChem CID 44531399) has the molecular formula C10H9ClF3N5O and a molecular weight of 307.66 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diaminomethylidenehydrazinylidene)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diaminomethylidenehydrazinylidene)acetamide
PubChem CID44531399
Molecular FormulaC10H9ClF3N5O
Molecular Weight307.66 g/mol
Exact Mass307.04
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diaminomethylidenehydrazinylidene)acetamide
SMILESNC(N)=NN=CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H9ClF3N5O/c11-7-2-1-5(3-6(7)10(12,13)14)18-8(20)4-17-19-9(15)16/h1-4H,(H,18,20)(H4,15,16,19)
InChIKeyPEHXOVIJIGYOTR-UHFFFAOYSA-N
XLogP1.56
TPSA105.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.66
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diaminomethylidenehydrazinylidene)acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diaminomethylidenehydrazinylidene)acetamide (CID 44531399) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diaminomethylidenehydrazinylidene)acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diaminomethylidenehydrazinylidene)acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diaminomethylidenehydrazinylidene)acetamide is NC(N)=NN=CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diaminomethylidenehydrazinylidene)acetamide?
The InChIKey is PEHXOVIJIGYOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N5O/c11-7-2-1-5(3-6(7)10(12,13)14)18-8(20)4-17-19-9(15)16/h1-4H,(H,18,20)(H4,15,16,19).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diaminomethylidenehydrazinylidene)acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diaminomethylidenehydrazinylidene)acetamide has a molecular weight of 307.66 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diaminomethylidenehydrazinylidene)acetamide is sourced from PubChem (CID 44531399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).