N-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C18H19F3N2O — CID 119440376

IUPACN-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCNCc1ccccc1NC(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N2O/c1-2-22-12-14-7-3-4-9-16(14)23-17(24)11-13-6-5-8-15(10-13)18(19,20)21/h3-10,22H,2,11-12H2,1H3,(H,23,24)
InChIKeyCKTHHMACCKCFOX-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.00
Rot. Bonds6

About N-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 119440376) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID119440376
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCNCc1ccccc1NC(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N2O/c1-2-22-12-14-7-3-4-9-16(14)23-17(24)11-13-6-5-8-15(10-13)18(19,20)21/h3-10,22H,2,11-12H2,1H3,(H,23,24)
InChIKeyCKTHHMACCKCFOX-UHFFFAOYSA-N
XLogP4.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119440375
N-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 119439280
2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid
CID 15574688
N-[2-(ethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119508394
N-(2,3-dibromophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 67184957
2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439603
N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]pentanamide
CID 149202431
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 90626295
2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119439602
N-[2-(ethylaminomethyl)phenyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119439213
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-[2-(ethylamino)-2-oxoethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 9224353

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 119440376) is N-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is CCNCc1ccccc1NC(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CKTHHMACCKCFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-2-22-12-14-7-3-4-9-16(14)23-17(24)11-13-6-5-8-15(10-13)18(19,20)21/h3-10,22H,2,11-12H2,1H3,(H,23,24).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 336.36 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 119440376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).