N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[2-(2-methoxyphenyl)acetyl]hydrazinylidene]butanamide

C20H19ClF3N3O3 — CID 4546488

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[2-(2-methoxyphenyl)acetyl]hydrazinylidene]butanamide
SMILESCOc1ccccc1CC(=O)NN=C(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C20H19ClF3N3O3/c1-12(26-27-19(29)10-13-5-3-4-6-17(13)30-2)9-18(28)25-14-7-8-16(21)15(11-14)20(22,23)24/h3-8,11H,9-10H2,1-2H3,(H,25,28)(H,27,29)
InChIKeyUGIGAFPRMIMWCH-UHFFFAOYSA-N
MW441.84 g/mol
LogP4.43
Rot. Bonds7

About N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[2-(2-methoxyphenyl)acetyl]hydrazinylidene]butanamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[2-(2-methoxyphenyl)acetyl]hydrazinylidene]butanamide (PubChem CID 4546488) has the molecular formula C20H19ClF3N3O3 and a molecular weight of 441.84 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[2-(2-methoxyphenyl)acetyl]hydrazinylidene]butanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[2-(2-methoxyphenyl)acetyl]hydrazinylidene]butanamide
PubChem CID4546488
Molecular FormulaC20H19ClF3N3O3
Molecular Weight441.84 g/mol
Exact Mass441.11
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[2-(2-methoxyphenyl)acetyl]hydrazinylidene]butanamide
SMILESCOc1ccccc1CC(=O)NN=C(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C20H19ClF3N3O3/c1-12(26-27-19(29)10-13-5-3-4-6-17(13)30-2)9-18(28)25-14-7-8-16(21)15(11-14)20(22,23)24/h3-8,11H,9-10H2,1-2H3,(H,25,28)(H,27,29)
InChIKeyUGIGAFPRMIMWCH-UHFFFAOYSA-N
XLogP4.43
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.84
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[4-chloro-3-(trifluoromethyl)anilino]-4-oxobutan-2-ylidene]amino]-4-methoxybenzamide
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1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(2-methoxyphenyl)methyl]thiourea
CID 100591102
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
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CID 7663932
2-(2-chlorophenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 19171328
N-(3-chloro-4-methoxyphenyl)-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 109008853
2-(3-chloro-4-methoxyanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 109008828
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-3-phenylpropanamide
CID 727661
N-(4-methoxy-3-methylphenyl)-2-(2-methoxyphenyl)acetamide
CID 110776428
N-benzyl-N'-[4-chloro-3-(trifluoromethyl)phenyl]propanediamide
CID 108945335

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[2-(2-methoxyphenyl)acetyl]hydrazinylidene]butanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[2-(2-methoxyphenyl)acetyl]hydrazinylidene]butanamide (CID 4546488) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[2-(2-methoxyphenyl)acetyl]hydrazinylidene]butanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[2-(2-methoxyphenyl)acetyl]hydrazinylidene]butanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[2-(2-methoxyphenyl)acetyl]hydrazinylidene]butanamide is COc1ccccc1CC(=O)NN=C(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[2-(2-methoxyphenyl)acetyl]hydrazinylidene]butanamide?
The InChIKey is UGIGAFPRMIMWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3N3O3/c1-12(26-27-19(29)10-13-5-3-4-6-17(13)30-2)9-18(28)25-14-7-8-16(21)15(11-14)20(22,23)24/h3-8,11H,9-10H2,1-2H3,(H,25,28)(H,27,29).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[2-(2-methoxyphenyl)acetyl]hydrazinylidene]butanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[2-(2-methoxyphenyl)acetyl]hydrazinylidene]butanamide has a molecular weight of 441.84 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[2-(2-methoxyphenyl)acetyl]hydrazinylidene]butanamide is sourced from PubChem (CID 4546488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).