N-cyclopentyl-2-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)acetamide

C15H17F3N2O3 — CID 122145985

IUPACN-cyclopentyl-2-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cc1cccc([N+](=O)[O-])c1)N(CC(F)(F)F)C1CCCC1
InChIInChI=1S/C15H17F3N2O3/c16-15(17,18)10-19(12-5-1-2-6-12)14(21)9-11-4-3-7-13(8-11)20(22)23/h3-4,7-8,12H,1-2,5-6,9-10H2
InChIKeyPOUJXGBYGGCWTI-UHFFFAOYSA-N
MW330.31 g/mol
LogP3.47
Rot. Bonds5

About N-cyclopentyl-2-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)acetamide

N-cyclopentyl-2-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 122145985) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID122145985
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC NameN-cyclopentyl-2-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cc1cccc([N+](=O)[O-])c1)N(CC(F)(F)F)C1CCCC1
InChIInChI=1S/C15H17F3N2O3/c16-15(17,18)10-19(12-5-1-2-6-12)14(21)9-11-4-3-7-13(8-11)20(22)23/h3-4,7-8,12H,1-2,5-6,9-10H2
InChIKeyPOUJXGBYGGCWTI-UHFFFAOYSA-N
XLogP3.47
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-1,1,1-trifluoro-3-(3-nitrophenyl)propan-2-imine
CID 46183819
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(3-nitrophenyl)acetamide
CID 110003767
N-[(3-nitrophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71650369
2-(3-methylphenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71796110
2-[cyclopropyl-[2-(3-nitrophenyl)acetyl]amino]propanoic acid
CID 119202503
3-nitro-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 66545519
1-cyclopropyl-2-(3-nitrophenyl)ethanone
CID 147564014
2-[cyclopentyl-[(3-nitrophenyl)methyl]amino]acetic acid
CID 60833489
N-cyclopentyl-2-(3-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)acetamide
CID 71968977
3-[2-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-2-oxoethyl]benzoic acid
CID 120690673
sodium 2-(3-nitrophenyl)acetate
CID 20571503
N-(2-aminocyclohexyl)-2-(3-nitrophenyl)acetamide
CID 104541060

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-cyclopentyl-2-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 122145985) is N-cyclopentyl-2-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cc1cccc([N+](=O)[O-])c1)N(CC(F)(F)F)C1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is POUJXGBYGGCWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c16-15(17,18)10-19(12-5-1-2-6-12)14(21)9-11-4-3-7-13(8-11)20(22)23/h3-4,7-8,12H,1-2,5-6,9-10H2.
What are the key properties of N-cyclopentyl-2-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)acetamide?
N-cyclopentyl-2-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 330.31 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 122145985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).