2-[(2-aminocyclopentyl)amino]-5-(trifluoromethyl)benzamide

C13H16F3N3O — CID 63252319

IUPAC2-[(2-aminocyclopentyl)amino]-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)ccc1NC1CCCC1N
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)7-4-5-10(8(6-7)12(18)20)19-11-3-1-2-9(11)17/h4-6,9,11,19H,1-3,17H2,(H2,18,20)
InChIKeyWODBHYYDNASLQB-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.10
Rot. Bonds3

About 2-[(2-aminocyclopentyl)amino]-5-(trifluoromethyl)benzamide

2-[(2-aminocyclopentyl)amino]-5-(trifluoromethyl)benzamide (PubChem CID 63252319) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-[(2-aminocyclopentyl)amino]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[(2-aminocyclopentyl)amino]-5-(trifluoromethyl)benzamide
PubChem CID63252319
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name2-[(2-aminocyclopentyl)amino]-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)ccc1NC1CCCC1N
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)7-4-5-10(8(6-7)12(18)20)19-11-3-1-2-9(11)17/h4-6,9,11,19H,1-3,17H2,(H2,18,20)
InChIKeyWODBHYYDNASLQB-UHFFFAOYSA-N
XLogP2.10
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclopentyl)amino]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-[(2-aminocyclopentyl)amino]-5-(trifluoromethyl)benzamide (CID 63252319) is 2-[(2-aminocyclopentyl)amino]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[(2-aminocyclopentyl)amino]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[(2-aminocyclopentyl)amino]-5-(trifluoromethyl)benzamide is NC(=O)c1cc(C(F)(F)F)ccc1NC1CCCC1N.
What is the InChIKey of 2-[(2-aminocyclopentyl)amino]-5-(trifluoromethyl)benzamide?
The InChIKey is WODBHYYDNASLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c14-13(15,16)7-4-5-10(8(6-7)12(18)20)19-11-3-1-2-9(11)17/h4-6,9,11,19H,1-3,17H2,(H2,18,20).
What are the key properties of 2-[(2-aminocyclopentyl)amino]-5-(trifluoromethyl)benzamide?
2-[(2-aminocyclopentyl)amino]-5-(trifluoromethyl)benzamide has a molecular weight of 287.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclopentyl)amino]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 63252319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).