4-tert-butyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide

C16H21F3N2O2 — CID 108934829

IUPAC4-tert-butyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCCNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C16H21F3N2O2/c1-15(2,3)12-7-5-11(6-8-12)13(22)20-9-4-10-21-14(23)16(17,18)19/h5-8H,4,9-10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyRRCFJIZJWGRPCG-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.78
Rot. Bonds5

About 4-tert-butyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide

4-tert-butyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide (PubChem CID 108934829) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
PubChem CID108934829
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name4-tert-butyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCCNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C16H21F3N2O2/c1-15(2,3)12-7-5-11(6-8-12)13(22)20-9-4-10-21-14(23)16(17,18)19/h5-8H,4,9-10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyRRCFJIZJWGRPCG-UHFFFAOYSA-N
XLogP2.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.78
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

4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 108537709
4-(aminomethyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 82097400
N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]pyridine-4-carboxamide
CID 108934864
4-tert-butyl-N-nonylbenzamide
CID 4642451
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134028875
4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537590
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706
N-(4-aminopentyl)-4-tert-butylbenzamide
CID 106122499
4-tert-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]benzamide
CID 4062495
4-(aminomethyl)-N-[3-(2,2-dimethylpropanoylamino)propyl]benzamide
CID 82097324
4-tert-butyl-N-[3-(2-phenylethylamino)propyl]benzamide
CID 118607429

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide (CID 108934829) is 4-tert-butyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide is CC(C)(C)c1ccc(C(=O)NCCCNC(=O)C(F)(F)F)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide?
The InChIKey is RRCFJIZJWGRPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-15(2,3)12-7-5-11(6-8-12)13(22)20-9-4-10-21-14(23)16(17,18)19/h5-8H,4,9-10H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 4-tert-butyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide?
4-tert-butyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide has a molecular weight of 330.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide is sourced from PubChem (CID 108934829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).