N-propyl-N-(2-pyridin-2-ylethyl)-3,5-bis(trifluoromethyl)benzamide

C19H18F6N2O — CID 60590914

IUPACN-propyl-N-(2-pyridin-2-ylethyl)-3,5-bis(trifluoromethyl)benzamide
SMILESCCCN(CCc1ccccn1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H18F6N2O/c1-2-8-27(9-6-16-5-3-4-7-26-16)17(28)13-10-14(18(20,21)22)12-15(11-13)19(23,24)25/h3-5,7,10-12H,2,6,8-9H2,1H3
InChIKeyXWCRXZNSWALRIY-UHFFFAOYSA-N
MW404.35 g/mol
LogP5.21
Rot. Bonds6

About N-propyl-N-(2-pyridin-2-ylethyl)-3,5-bis(trifluoromethyl)benzamide

N-propyl-N-(2-pyridin-2-ylethyl)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 60590914) has the molecular formula C19H18F6N2O and a molecular weight of 404.35 g/mol. Its IUPAC name is N-propyl-N-(2-pyridin-2-ylethyl)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-propyl-N-(2-pyridin-2-ylethyl)-3,5-bis(trifluoromethyl)benzamide
PubChem CID60590914
Molecular FormulaC19H18F6N2O
Molecular Weight404.35 g/mol
Exact Mass404.13
IUPAC NameN-propyl-N-(2-pyridin-2-ylethyl)-3,5-bis(trifluoromethyl)benzamide
SMILESCCCN(CCc1ccccn1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H18F6N2O/c1-2-8-27(9-6-16-5-3-4-7-26-16)17(28)13-10-14(18(20,21)22)12-15(11-13)19(23,24)25/h3-5,7,10-12H,2,6,8-9H2,1H3
InChIKeyXWCRXZNSWALRIY-UHFFFAOYSA-N
XLogP5.21
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.35
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylpropyl)-N-propyl-N-(2-pyridin-2-ylethyl)benzamide
CID 86873559
N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
CID 108756043
4-oxo-4-phenyl-N-propyl-N-(2-pyridin-2-ylethyl)butanamide
CID 49031326
3-[[propyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanoic acid
CID 122019003
N-propyl-N-(2-pyridin-2-ylethyl)-1H-indazole-3-carboxamide
CID 52768641
N-(2-hydroxyethyl)-N-propyl-3-(trifluoromethyl)benzamide
CID 60655793
N,N-dipropyl-2-pyridin-2-ylacetamide
CID 110696960
ethyl 4-[[2-pyridin-2-ylethyl-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]amino]benzoate
CID 42696075
3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 105095584
2-[propyl(3-pyridin-2-ylpropanoyl)amino]acetic acid
CID 114289646
2-(aminomethyl)-N,N-dipropylpyridine-4-carboxamide
CID 113277709
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(2-pyridin-2-ylethyl)-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-propyl-N-(2-pyridin-2-ylethyl)-3,5-bis(trifluoromethyl)benzamide (CID 60590914) is N-propyl-N-(2-pyridin-2-ylethyl)-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-propyl-N-(2-pyridin-2-ylethyl)-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-propyl-N-(2-pyridin-2-ylethyl)-3,5-bis(trifluoromethyl)benzamide is CCCN(CCc1ccccn1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-propyl-N-(2-pyridin-2-ylethyl)-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is XWCRXZNSWALRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6N2O/c1-2-8-27(9-6-16-5-3-4-7-26-16)17(28)13-10-14(18(20,21)22)12-15(11-13)19(23,24)25/h3-5,7,10-12H,2,6,8-9H2,1H3.
What are the key properties of N-propyl-N-(2-pyridin-2-ylethyl)-3,5-bis(trifluoromethyl)benzamide?
N-propyl-N-(2-pyridin-2-ylethyl)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 404.35 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(2-pyridin-2-ylethyl)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 60590914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).