N-(2-acetamidoethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C10H16F3N3O2 — CID 63708944

IUPACN-(2-acetamidoethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(=O)NCCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H16F3N3O2/c1-7(17)15-4-5-16-8(18)9(10(11,12)13)2-3-14-6-9/h14H,2-6H2,1H3,(H,15,17)(H,16,18)
InChIKeyLNTHUZHVNMKDNF-UHFFFAOYSA-N
MW267.25 g/mol
LogP-0.22
Rot. Bonds4

About N-(2-acetamidoethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(2-acetamidoethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63708944) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63708944
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC NameN-(2-acetamidoethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(=O)NCCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H16F3N3O2/c1-7(17)15-4-5-16-8(18)9(10(11,12)13)2-3-14-6-9/h14H,2-6H2,1H3,(H,15,17)(H,16,18)
InChIKeyLNTHUZHVNMKDNF-UHFFFAOYSA-N
XLogP-0.22
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63708944) is N-(2-acetamidoethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CC(=O)NCCNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(2-acetamidoethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is LNTHUZHVNMKDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c1-7(17)15-4-5-16-8(18)9(10(11,12)13)2-3-14-6-9/h14H,2-6H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(2-acetamidoethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(2-acetamidoethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 267.25 g/mol, XLogP of -0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63708944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).