N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide

C14H17F3N2O2 — CID 112990650

IUPACN-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESCCCCNC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O2/c1-2-3-8-18-12(20)9-19-13(21)10-4-6-11(7-5-10)14(15,16)17/h4-7H,2-3,8-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyNNXDOGCERHAPKN-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.35
Rot. Bonds6

About N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide

N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide (PubChem CID 112990650) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
PubChem CID112990650
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESCCCCNC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O2/c1-2-3-8-18-12(20)9-19-13(21)10-4-6-11(7-5-10)14(15,16)17/h4-7H,2-3,8-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyNNXDOGCERHAPKN-UHFFFAOYSA-N
XLogP2.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 119503351
N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide
CID 34231237
N-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 86976279
N-[2-[3-[(3-ethylphenyl)methylamino]propylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 142242776
4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 4288928
N-[2-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55546139
N-[2-[2-(methylamino)propylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 120833138
N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide
CID 78784679
N-[2-(butylamino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 34231217
N-[3-[(2-cyanoacetyl)amino]propyl]-4-(trifluoromethyl)benzamide
CID 108924365
4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 770701
4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 35513820

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide (CID 112990650) is N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide is CCCCNC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is NNXDOGCERHAPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-2-3-8-18-12(20)9-19-13(21)10-4-6-11(7-5-10)14(15,16)17/h4-7H,2-3,8-9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide?
N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 302.30 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 112990650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).