2-chloro-4-cyclopentyl-N-(diaminomethylidene)-5-(trifluoromethyl)benzamide

C14H15ClF3N3O — CID 15383124

IUPAC2-chloro-4-cyclopentyl-N-(diaminomethylidene)-5-(trifluoromethyl)benzamide
SMILESNC(N)=NC(=O)c1cc(C(F)(F)F)c(C2CCCC2)cc1Cl
InChIInChI=1S/C14H15ClF3N3O/c15-11-6-8(7-3-1-2-4-7)10(14(16,17)18)5-9(11)12(22)21-13(19)20/h5-7H,1-4H2,(H4,19,20,21,22)
InChIKeyQNISZEXTNUXNOR-UHFFFAOYSA-N
MW333.74 g/mol
LogP3.43
Rot. Bonds2

About 2-chloro-4-cyclopentyl-N-(diaminomethylidene)-5-(trifluoromethyl)benzamide

2-chloro-4-cyclopentyl-N-(diaminomethylidene)-5-(trifluoromethyl)benzamide (PubChem CID 15383124) has the molecular formula C14H15ClF3N3O and a molecular weight of 333.74 g/mol. Its IUPAC name is 2-chloro-4-cyclopentyl-N-(diaminomethylidene)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-cyclopentyl-N-(diaminomethylidene)-5-(trifluoromethyl)benzamide
PubChem CID15383124
Molecular FormulaC14H15ClF3N3O
Molecular Weight333.74 g/mol
Exact Mass333.09
IUPAC Name2-chloro-4-cyclopentyl-N-(diaminomethylidene)-5-(trifluoromethyl)benzamide
SMILESNC(N)=NC(=O)c1cc(C(F)(F)F)c(C2CCCC2)cc1Cl
InChIInChI=1S/C14H15ClF3N3O/c15-11-6-8(7-3-1-2-4-7)10(14(16,17)18)5-9(11)12(22)21-13(19)20/h5-7H,1-4H2,(H4,19,20,21,22)
InChIKeyQNISZEXTNUXNOR-UHFFFAOYSA-N
XLogP3.43
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.74
LogP ≤ 53.43
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-chloro-N-(diaminomethylidene)-4-propyl-5-(trifluoromethyl)benzamide;hydrochloride
CID 9862939
2-chloro-N-(diaminomethylidene)-4-propyl-5-(trifluoromethyl)benzamide
CID 9862940
2,4-dichloro-N-(diaminomethylidene)-5-(trifluoromethyl)benzamide
CID 9882768
2-chloro-N-(diaminomethylidene)-3-iodo-5-(trifluoromethyl)benzamide
CID 15383116
2-chloro-N-(diaminomethylidene)-3-methyl-5-(trifluoromethyl)benzamide
CID 15383117
2-chloro-N-(diaminomethylidene)-3-propyl-5-(trifluoromethyl)benzamide
CID 15383118
2-chloro-N-(diaminomethylidene)-3-propan-2-yl-5-(trifluoromethyl)benzamide
CID 15383119
3-tert-butyl-2-chloro-N-(diaminomethylidene)-5-(trifluoromethyl)benzamide
CID 15383120
2-chloro-3-cyclopentyl-N-(diaminomethylidene)-5-(trifluoromethyl)benzamide
CID 15383121
2-chloro-N-(diaminomethylidene)-4-methyl-5-(trifluoromethyl)benzamide
CID 15383122
2-chloro-N-(diaminomethylidene)-4-propan-2-yl-5-(trifluoromethyl)benzamide
CID 15383123
2-chloro-N-(diaminomethylidene)-5-(trifluoromethyl)benzamide
CID 15841108

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyclopentyl-N-(diaminomethylidene)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-4-cyclopentyl-N-(diaminomethylidene)-5-(trifluoromethyl)benzamide (CID 15383124) is 2-chloro-4-cyclopentyl-N-(diaminomethylidene)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-4-cyclopentyl-N-(diaminomethylidene)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-4-cyclopentyl-N-(diaminomethylidene)-5-(trifluoromethyl)benzamide is NC(N)=NC(=O)c1cc(C(F)(F)F)c(C2CCCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-cyclopentyl-N-(diaminomethylidene)-5-(trifluoromethyl)benzamide?
The InChIKey is QNISZEXTNUXNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N3O/c15-11-6-8(7-3-1-2-4-7)10(14(16,17)18)5-9(11)12(22)21-13(19)20/h5-7H,1-4H2,(H4,19,20,21,22).
What are the key properties of 2-chloro-4-cyclopentyl-N-(diaminomethylidene)-5-(trifluoromethyl)benzamide?
2-chloro-4-cyclopentyl-N-(diaminomethylidene)-5-(trifluoromethyl)benzamide has a molecular weight of 333.74 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyclopentyl-N-(diaminomethylidene)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 15383124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).