N-[5-(diethylamino)pentan-2-yl]-4-(trifluoromethyl)benzamide

C17H25F3N2O — CID 4535202

IUPACN-[5-(diethylamino)pentan-2-yl]-4-(trifluoromethyl)benzamide
SMILESCCN(CC)CCCC(C)NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H25F3N2O/c1-4-22(5-2)12-6-7-13(3)21-16(23)14-8-10-15(11-9-14)17(18,19)20/h8-11,13H,4-7,12H2,1-3H3,(H,21,23)
InChIKeyAZBVDJMXKPDOBD-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.95
Rot. Bonds8

About N-[5-(diethylamino)pentan-2-yl]-4-(trifluoromethyl)benzamide

N-[5-(diethylamino)pentan-2-yl]-4-(trifluoromethyl)benzamide (PubChem CID 4535202) has the molecular formula C17H25F3N2O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-4-(trifluoromethyl)benzamide
PubChem CID4535202
Molecular FormulaC17H25F3N2O
Molecular Weight330.39 g/mol
Exact Mass330.19
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-4-(trifluoromethyl)benzamide
SMILESCCN(CC)CCCC(C)NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H25F3N2O/c1-4-22(5-2)12-6-7-13(3)21-16(23)14-8-10-15(11-9-14)17(18,19)20/h8-11,13H,4-7,12H2,1-3H3,(H,21,23)
InChIKeyAZBVDJMXKPDOBD-UHFFFAOYSA-N
XLogP3.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyano-N-[5-(diethylamino)pentan-2-yl]benzamide
CID 24708648
N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 3327071
6-amino-N-[5-(diethylamino)pentan-2-yl]pyridine-3-carboxamide
CID 62153221
6-chloro-N-[(2R)-5-(diethylamino)pentan-2-yl]pyridine-3-carboxamide
CID 38988276
N-[(2S)-1-aminopropan-2-yl]-4-(trifluoromethyl)benzamide
CID 120506253
N-[5-(diethylamino)pentan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46082931
N-[5-(diethylamino)pentan-2-yl]-5-hydroxypyridine-3-carboxamide
CID 63865105
4-[(E)-3-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 95049513
2,2,2-trifluoroethyl N-[5-(diethylamino)pentan-2-yl]carbamate
CID 65174038
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2R)-5-(diethylamino)pentan-2-yl]benzamide
CID 92767970
4-[[[N-[5-(diethylamino)pentan-2-yl]-N'-methylcarbamimidoyl]amino]methyl]-N-methylbenzamide;hydroiodide
CID 110997582
N-(5-bromopentan-2-yl)-3-(trifluoromethyl)benzamide
CID 114316538

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-4-(trifluoromethyl)benzamide (CID 4535202) is N-[5-(diethylamino)pentan-2-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-4-(trifluoromethyl)benzamide is CCN(CC)CCCC(C)NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is AZBVDJMXKPDOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O/c1-4-22(5-2)12-6-7-13(3)21-16(23)14-8-10-15(11-9-14)17(18,19)20/h8-11,13H,4-7,12H2,1-3H3,(H,21,23).
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-4-(trifluoromethyl)benzamide?
N-[5-(diethylamino)pentan-2-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 330.39 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 4535202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).