2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-(trifluoromethyl)benzamide

C14H18F3N3O — CID 115308217

IUPAC2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-(trifluoromethyl)benzamide
SMILESCC(CN)(Nc1ccc(C(F)(F)F)cc1C(N)=O)C1CC1
InChIInChI=1S/C14H18F3N3O/c1-13(7-18,8-2-3-8)20-11-5-4-9(14(15,16)17)6-10(11)12(19)21/h4-6,8,20H,2-3,7,18H2,1H3,(H2,19,21)
InChIKeyJQPUXDCBDBSMOJ-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.34
Rot. Bonds5

About 2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-(trifluoromethyl)benzamide

2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-(trifluoromethyl)benzamide (PubChem CID 115308217) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-(trifluoromethyl)benzamide
PubChem CID115308217
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-(trifluoromethyl)benzamide
SMILESCC(CN)(Nc1ccc(C(F)(F)F)cc1C(N)=O)C1CC1
InChIInChI=1S/C14H18F3N3O/c1-13(7-18,8-2-3-8)20-11-5-4-9(14(15,16)17)6-10(11)12(19)21/h4-6,8,20H,2-3,7,18H2,1H3,(H2,19,21)
InChIKeyJQPUXDCBDBSMOJ-UHFFFAOYSA-N
XLogP2.34
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-(trifluoromethyl)benzamide (CID 115308217) is 2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-(trifluoromethyl)benzamide is CC(CN)(Nc1ccc(C(F)(F)F)cc1C(N)=O)C1CC1.
What is the InChIKey of 2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-(trifluoromethyl)benzamide?
The InChIKey is JQPUXDCBDBSMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-13(7-18,8-2-3-8)20-11-5-4-9(14(15,16)17)6-10(11)12(19)21/h4-6,8,20H,2-3,7,18H2,1H3,(H2,19,21).
What are the key properties of 2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-(trifluoromethyl)benzamide?
2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-(trifluoromethyl)benzamide has a molecular weight of 301.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 115308217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).