N'-[2-(anilinocarbamoyl)-4-(trifluoromethyl)phenyl]-2-chloroethanimidamide

C16H14ClF3N4O — CID 169368384

IUPACN'-[2-(anilinocarbamoyl)-4-(trifluoromethyl)phenyl]-2-chloroethanimidamide
SMILESN/C(CCl)=N/c1ccc(C(F)(F)F)cc1C(=O)NNc1ccccc1
InChIInChI=1S/C16H14ClF3N4O/c17-9-14(21)22-13-7-6-10(16(18,19)20)8-12(13)15(25)24-23-11-4-2-1-3-5-11/h1-8,23H,9H2,(H2,21,22)(H,24,25)
InChIKeyVTDBVAWGWXGFCD-UHFFFAOYSA-N
MW370.76 g/mol
LogP3.69
Rot. Bonds5

About N'-[2-(anilinocarbamoyl)-4-(trifluoromethyl)phenyl]-2-chloroethanimidamide

N'-[2-(anilinocarbamoyl)-4-(trifluoromethyl)phenyl]-2-chloroethanimidamide (PubChem CID 169368384) has the molecular formula C16H14ClF3N4O and a molecular weight of 370.76 g/mol. Its IUPAC name is N'-[2-(anilinocarbamoyl)-4-(trifluoromethyl)phenyl]-2-chloroethanimidamide.

Molecular Properties

Compound NameN'-[2-(anilinocarbamoyl)-4-(trifluoromethyl)phenyl]-2-chloroethanimidamide
PubChem CID169368384
Molecular FormulaC16H14ClF3N4O
Molecular Weight370.76 g/mol
Exact Mass370.08
IUPAC NameN'-[2-(anilinocarbamoyl)-4-(trifluoromethyl)phenyl]-2-chloroethanimidamide
SMILESN/C(CCl)=N/c1ccc(C(F)(F)F)cc1C(=O)NNc1ccccc1
InChIInChI=1S/C16H14ClF3N4O/c17-9-14(21)22-13-7-6-10(16(18,19)20)8-12(13)15(25)24-23-11-4-2-1-3-5-11/h1-8,23H,9H2,(H2,21,22)(H,24,25)
InChIKeyVTDBVAWGWXGFCD-UHFFFAOYSA-N
XLogP3.69
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.76
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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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Related Compounds

2-chloro-N'-[2-fluoro-4-(trifluoromethyl)phenyl]ethanimidamide
CID 169365215
2-[2-(dicyanomethylidene)hydrazinyl]-N'-phenyl-5-(trifluoromethyl)benzohydrazide
CID 169340655
2-chloro-N'-[2-(sulfanylmethyl)-5-(trifluoromethyl)phenyl]ethanimidamide
CID 169368162
1-anilino-3-[3-(trifluoromethyl)phenyl]urea
CID 4549363
4-phenylmethoxy-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
CID 55343538
N'-[3,5-bis(trifluoromethyl)phenyl]-2-chloroethanimidamide
CID 169369581
N-(1-amino-2-chloroethylidene)-3,5-bis(trifluoromethyl)benzamide
CID 14346364
2-chloro-4-fluoro-N'-phenylbenzohydrazide
CID 78774979
2-chloro-N'-[4-chloro-2-(4-fluorobenzoyl)phenyl]ethanimidamide
CID 169367729
tert-butyl 2-[(1-amino-2-chloroethylidene)amino]benzoate
CID 169365806
2-chloro-N'-[2,3,4-trifluoro-5-(trifluoromethyl)phenyl]ethanimidamide
CID 169366173
N-[4-(anilinomethyl)cyclohexyl]-2-chloro-5-(trifluoromethyl)benzamide
CID 59186865

Frequently Asked Questions

What is the IUPAC name of N'-[2-(anilinocarbamoyl)-4-(trifluoromethyl)phenyl]-2-chloroethanimidamide?
The IUPAC name of N'-[2-(anilinocarbamoyl)-4-(trifluoromethyl)phenyl]-2-chloroethanimidamide (CID 169368384) is N'-[2-(anilinocarbamoyl)-4-(trifluoromethyl)phenyl]-2-chloroethanimidamide.
What is the SMILES notation for N'-[2-(anilinocarbamoyl)-4-(trifluoromethyl)phenyl]-2-chloroethanimidamide?
The canonical SMILES for N'-[2-(anilinocarbamoyl)-4-(trifluoromethyl)phenyl]-2-chloroethanimidamide is N/C(CCl)=N/c1ccc(C(F)(F)F)cc1C(=O)NNc1ccccc1.
What is the InChIKey of N'-[2-(anilinocarbamoyl)-4-(trifluoromethyl)phenyl]-2-chloroethanimidamide?
The InChIKey is VTDBVAWGWXGFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N4O/c17-9-14(21)22-13-7-6-10(16(18,19)20)8-12(13)15(25)24-23-11-4-2-1-3-5-11/h1-8,23H,9H2,(H2,21,22)(H,24,25).
What are the key properties of N'-[2-(anilinocarbamoyl)-4-(trifluoromethyl)phenyl]-2-chloroethanimidamide?
N'-[2-(anilinocarbamoyl)-4-(trifluoromethyl)phenyl]-2-chloroethanimidamide has a molecular weight of 370.76 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(anilinocarbamoyl)-4-(trifluoromethyl)phenyl]-2-chloroethanimidamide is sourced from PubChem (CID 169368384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).