3-amino-N-cyclopentyl-4-(2,2,2-trifluoroethoxy)benzamide

C14H17F3N2O2 — CID 171933201

IUPAC3-amino-N-cyclopentyl-4-(2,2,2-trifluoroethoxy)benzamide
SMILESNc1cc(C(=O)NC2CCCC2)ccc1OCC(F)(F)F
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)8-21-12-6-5-9(7-11(12)18)13(20)19-10-3-1-2-4-10/h5-7,10H,1-4,8,18H2,(H,19,20)
InChIKeyDEZPHLJCLLFPMV-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.88
Rot. Bonds4

About 3-amino-N-cyclopentyl-4-(2,2,2-trifluoroethoxy)benzamide

3-amino-N-cyclopentyl-4-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 171933201) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 3-amino-N-cyclopentyl-4-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound Name3-amino-N-cyclopentyl-4-(2,2,2-trifluoroethoxy)benzamide
PubChem CID171933201
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name3-amino-N-cyclopentyl-4-(2,2,2-trifluoroethoxy)benzamide
SMILESNc1cc(C(=O)NC2CCCC2)ccc1OCC(F)(F)F
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)8-21-12-6-5-9(7-11(12)18)13(20)19-10-3-1-2-4-10/h5-7,10H,1-4,8,18H2,(H,19,20)
InChIKeyDEZPHLJCLLFPMV-UHFFFAOYSA-N
XLogP2.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-cyclohexyl-4-ethoxybenzamide
CID 28689929
3-amino-N-cyclobutyl-4-(trifluoromethyl)benzamide
CID 146047094
3-amino-N-cyclohexyl-4-[2-(dimethylamino)ethoxy]benzamide
CID 82070507
3-amino-4-ethoxy-N-(4-hydroxycyclohexyl)benzamide
CID 61089801
3-amino-N-(thian-4-yl)-4-(trifluoromethoxy)benzamide
CID 116629037
[3-amino-4-(2,2,2-trifluoroethoxy)phenyl]-pyrrolidin-1-ylmethanone
CID 171933209
[3-amino-4-(2,2,2-trifluoroethoxy)phenyl]-piperidin-1-ylmethanone
CID 171933212
3-amino-N-cyclopropyl-4-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide
CID 82070196
2-(2-amino-4-fluorophenoxy)-N-cyclohexylacetamide
CID 55068862
4-amino-N-cyclooctyl-3-fluorobenzamide
CID 62679448
3-amino-4-ethoxy-N-(1-ethylpiperidin-3-yl)benzamide
CID 61169768
3-amino-N-(1,1-dioxothian-3-yl)-4-ethoxybenzamide
CID 63924857

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopentyl-4-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of 3-amino-N-cyclopentyl-4-(2,2,2-trifluoroethoxy)benzamide (CID 171933201) is 3-amino-N-cyclopentyl-4-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for 3-amino-N-cyclopentyl-4-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for 3-amino-N-cyclopentyl-4-(2,2,2-trifluoroethoxy)benzamide is Nc1cc(C(=O)NC2CCCC2)ccc1OCC(F)(F)F.
What is the InChIKey of 3-amino-N-cyclopentyl-4-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is DEZPHLJCLLFPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)8-21-12-6-5-9(7-11(12)18)13(20)19-10-3-1-2-4-10/h5-7,10H,1-4,8,18H2,(H,19,20).
What are the key properties of 3-amino-N-cyclopentyl-4-(2,2,2-trifluoroethoxy)benzamide?
3-amino-N-cyclopentyl-4-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 302.30 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopentyl-4-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 171933201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).