3-acetamido-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide

C18H17F3N2O2 — CID 47004839

IUPAC3-acetamido-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NC(C)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H17F3N2O2/c1-11(13-5-3-7-15(9-13)18(19,20)21)22-17(25)14-6-4-8-16(10-14)23-12(2)24/h3-11H,1-2H3,(H,22,25)(H,23,24)
InChIKeyQLGPCCKJHAFXMH-UHFFFAOYSA-N
MW350.34 g/mol
LogP4.15
Rot. Bonds4

About 3-acetamido-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide

3-acetamido-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 47004839) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 3-acetamido-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID47004839
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name3-acetamido-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NC(C)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H17F3N2O2/c1-11(13-5-3-7-15(9-13)18(19,20)21)22-17(25)14-6-4-8-16(10-14)23-12(2)24/h3-11H,1-2H3,(H,22,25)(H,23,24)
InChIKeyQLGPCCKJHAFXMH-UHFFFAOYSA-N
XLogP4.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 51939972
3-(pyrimidin-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 42948719
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
3-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 112764046
3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 112763933
3-[[(2S)-2-acetamidopropanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 87040115
3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17458520
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
3-acetamido-N-[1-(4-bromophenyl)ethyl]benzamide
CID 47004737
3-acetamido-N-[(1R)-1-(4-bromophenyl)ethyl]benzamide
CID 26072551
N-[3-[(1R)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]phenyl]acetamide
CID 51944566

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 3-acetamido-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide (CID 47004839) is 3-acetamido-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 3-acetamido-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide is CC(=O)Nc1cccc(C(=O)NC(C)c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-acetamido-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is QLGPCCKJHAFXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-11(13-5-3-7-15(9-13)18(19,20)21)22-17(25)14-6-4-8-16(10-14)23-12(2)24/h3-11H,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 3-acetamido-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
3-acetamido-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 350.34 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 47004839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).