3-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylcyclohexane-1-carboxamide;hydrochloride

C18H25ClF3N3O2 — CID 119682416

IUPAC3-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylcyclohexane-1-carboxamide;hydrochloride
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C18H24F3N3O2.ClH/c1-2-8-24(18(26)11-4-3-5-12(22)9-11)10-15(25)23-14-7-6-13(19)16(20)17(14)21;/h6-7,11-12H,2-5,8-10,22H2,1H3,(H,23,25);1H
InChIKeyJPMDHBLIZCQULN-UHFFFAOYSA-N
MW407.86 g/mol
LogP3.22
Rot. Bonds6

About 3-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylcyclohexane-1-carboxamide;hydrochloride

3-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 119682416) has the molecular formula C18H25ClF3N3O2 and a molecular weight of 407.86 g/mol. Its IUPAC name is 3-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylcyclohexane-1-carboxamide;hydrochloride
PubChem CID119682416
Molecular FormulaC18H25ClF3N3O2
Molecular Weight407.86 g/mol
Exact Mass407.16
IUPAC Name3-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylcyclohexane-1-carboxamide;hydrochloride
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C18H24F3N3O2.ClH/c1-2-8-24(18(26)11-4-3-5-12(22)9-11)10-15(25)23-14-7-6-13(19)16(20)17(14)21;/h6-7,11-12H,2-5,8-10,22H2,1H3,(H,23,25);1H
InChIKeyJPMDHBLIZCQULN-UHFFFAOYSA-N
XLogP3.22
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,3S)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 51958265
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide
CID 119682443
1-methylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpiperidine-3-carboxamide
CID 55556172
methyl 2-[(3-aminocyclohexanecarbonyl)-propylamino]acetate
CID 55147309
N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclopentanecarboxamide
CID 2534365
1-(2-fluorophenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide
CID 46554924
2-methyl-3-(methylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpropanamide;hydrochloride
CID 119682430
4-iodo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 27773080
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyridine-4-carboxamide
CID 27773073
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 42977412
3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide;hydrochloride
CID 119746848
2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 24677447

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylcyclohexane-1-carboxamide;hydrochloride (CID 119682416) is 3-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylcyclohexane-1-carboxamide;hydrochloride is CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is JPMDHBLIZCQULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2.ClH/c1-2-8-24(18(26)11-4-3-5-12(22)9-11)10-15(25)23-14-7-6-13(19)16(20)17(14)21;/h6-7,11-12H,2-5,8-10,22H2,1H3,(H,23,25);1H.
What are the key properties of 3-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylcyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 407.86 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119682416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).