N-(diaminomethylidene)-3-[2-(trifluoromethyl)phenyl]benzamide;hydrochloride

C15H13ClF3N3O — CID 18945209

IUPACN-(diaminomethylidene)-3-[2-(trifluoromethyl)phenyl]benzamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1cccc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H12F3N3O.ClH/c16-15(17,18)12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(22)21-14(19)20;/h1-8H,(H4,19,20,21,22);1H
InChIKeyOQWMEVGKZWNATD-UHFFFAOYSA-N
MW343.74 g/mol
LogP3.21
Rot. Bonds2

About N-(diaminomethylidene)-3-[2-(trifluoromethyl)phenyl]benzamide;hydrochloride

N-(diaminomethylidene)-3-[2-(trifluoromethyl)phenyl]benzamide;hydrochloride (PubChem CID 18945209) has the molecular formula C15H13ClF3N3O and a molecular weight of 343.74 g/mol. Its IUPAC name is N-(diaminomethylidene)-3-[2-(trifluoromethyl)phenyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(diaminomethylidene)-3-[2-(trifluoromethyl)phenyl]benzamide;hydrochloride
PubChem CID18945209
Molecular FormulaC15H13ClF3N3O
Molecular Weight343.74 g/mol
Exact Mass343.07
IUPAC NameN-(diaminomethylidene)-3-[2-(trifluoromethyl)phenyl]benzamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1cccc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H12F3N3O.ClH/c16-15(17,18)12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(22)21-14(19)20;/h1-8H,(H4,19,20,21,22);1H
InChIKeyOQWMEVGKZWNATD-UHFFFAOYSA-N
XLogP3.21
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.74
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-Trifluoromethylbenzamide
CID 67759
1-Naphthalenecarboxamide
CID 75244
N-(Aminoiminomethyl)benzamide
CID 76630
N-(diaminomethylidene)-9-fluoro-9H-fluorene-2-carboxamide;hydrochloride
CID 118706298
N-(diaminomethylidene)-9H-fluorene-2-carboxamide
CID 72734860
N-(diaminomethylidene)-9H-fluorene-1-carboxamide;hydrochloride
CID 72735038
N-(diaminomethylidene)-9H-fluorene-4-carboxamide;hydrochloride
CID 72735040
N-(diaminomethylidene)-9-methyl-9H-fluorene-2-carboxamide;hydrochloride
CID 118706300
2-(2-Fluorophenyl)benzamide
CID 67280845
(1,1'-Biphenyl)-2-carboxamide
CID 83254
N-(diaminomethylidene)-4-[(3-ethyl-2,4,4-trimethylcyclohexyl)methyl]benzamide
CID 90676377
2-Benzylbenzamide
CID 458362

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-3-[2-(trifluoromethyl)phenyl]benzamide;hydrochloride?
The IUPAC name of N-(diaminomethylidene)-3-[2-(trifluoromethyl)phenyl]benzamide;hydrochloride (CID 18945209) is N-(diaminomethylidene)-3-[2-(trifluoromethyl)phenyl]benzamide;hydrochloride.
What is the SMILES notation for N-(diaminomethylidene)-3-[2-(trifluoromethyl)phenyl]benzamide;hydrochloride?
The canonical SMILES for N-(diaminomethylidene)-3-[2-(trifluoromethyl)phenyl]benzamide;hydrochloride is Cl.NC(N)=NC(=O)c1cccc(-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-(diaminomethylidene)-3-[2-(trifluoromethyl)phenyl]benzamide;hydrochloride?
The InChIKey is OQWMEVGKZWNATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O.ClH/c16-15(17,18)12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(22)21-14(19)20;/h1-8H,(H4,19,20,21,22);1H.
What are the key properties of N-(diaminomethylidene)-3-[2-(trifluoromethyl)phenyl]benzamide;hydrochloride?
N-(diaminomethylidene)-3-[2-(trifluoromethyl)phenyl]benzamide;hydrochloride has a molecular weight of 343.74 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-3-[2-(trifluoromethyl)phenyl]benzamide;hydrochloride is sourced from PubChem (CID 18945209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).