N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-4-(trifluoromethyl)benzamide

C18H18F3N3O2 — CID 113055335

IUPACN-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(C(F)(F)F)cc1)Cc1cccnc1
InChIInChI=1S/C18H18F3N3O2/c1-13(25)24(12-14-3-2-8-22-11-14)10-9-23-17(26)15-4-6-16(7-5-15)18(19,20)21/h2-8,11H,9-10,12H2,1H3,(H,23,26)
InChIKeyHEHXMJPBPDDPBH-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.88
Rot. Bonds6

About N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-4-(trifluoromethyl)benzamide

N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 113055335) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-4-(trifluoromethyl)benzamide
PubChem CID113055335
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC NameN-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(C(F)(F)F)cc1)Cc1cccnc1
InChIInChI=1S/C18H18F3N3O2/c1-13(25)24(12-14-3-2-8-22-11-14)10-9-23-17(26)15-4-6-16(7-5-15)18(19,20)21/h2-8,11H,9-10,12H2,1H3,(H,23,26)
InChIKeyHEHXMJPBPDDPBH-UHFFFAOYSA-N
XLogP2.88
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-3,4-dichlorobenzamide
CID 113055305
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-methoxybenzamide
CID 113055301
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(3-bromophenyl)acetamide
CID 113055347
N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzamide
CID 121084904
N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113055767
3-[acetyl(pyridin-3-ylmethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113120356
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-4-tert-butylbenzamide
CID 113054239
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113055342
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113055312
N-[2-(N,4-diacetylanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113061679
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113055438
N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34360937

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-4-(trifluoromethyl)benzamide (CID 113055335) is N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-4-(trifluoromethyl)benzamide is CC(=O)N(CCNC(=O)c1ccc(C(F)(F)F)cc1)Cc1cccnc1.
What is the InChIKey of N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is HEHXMJPBPDDPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-13(25)24(12-14-3-2-8-22-11-14)10-9-23-17(26)15-4-6-16(7-5-15)18(19,20)21/h2-8,11H,9-10,12H2,1H3,(H,23,26).
What are the key properties of N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-4-(trifluoromethyl)benzamide?
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 365.36 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 113055335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).