N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]-4-(trifluoromethyl)benzamide

C20H20F4N2O2 — CID 113055767

IUPACN-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(C(F)(F)F)cc1)CCc1ccc(F)cc1
InChIInChI=1S/C20H20F4N2O2/c1-14(27)26(12-10-15-2-8-18(21)9-3-15)13-11-25-19(28)16-4-6-17(7-5-16)20(22,23)24/h2-9H,10-13H2,1H3,(H,25,28)
InChIKeyUQEXAWABSROYGI-UHFFFAOYSA-N
MW396.38 g/mol
LogP3.67
Rot. Bonds7

About N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]-4-(trifluoromethyl)benzamide

N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 113055767) has the molecular formula C20H20F4N2O2 and a molecular weight of 396.38 g/mol. Its IUPAC name is N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]-4-(trifluoromethyl)benzamide
PubChem CID113055767
Molecular FormulaC20H20F4N2O2
Molecular Weight396.38 g/mol
Exact Mass396.15
IUPAC NameN-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(C(F)(F)F)cc1)CCc1ccc(F)cc1
InChIInChI=1S/C20H20F4N2O2/c1-14(27)26(12-10-15-2-8-18(21)9-3-15)13-11-25-19(28)16-4-6-17(7-5-16)20(22,23)24/h2-9H,10-13H2,1H3,(H,25,28)
InChIKeyUQEXAWABSROYGI-UHFFFAOYSA-N
XLogP3.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-4-fluoroanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113059333
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113121176
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113164436
N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3,4-difluorobenzamide
CID 113056272
N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]butanamide
CID 113055720
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-4-fluorobenzamide
CID 113055827
ethyl N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]carbamate
CID 113055776
N-[2-[acetyl(2-phenylethyl)amino]ethyl]-3-fluorobenzamide
CID 113055543
N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-4-methoxybenzamide
CID 113054653
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113055335
N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]benzamide
CID 113055959
N-[2-[acetyl(2-phenylethyl)amino]ethyl]-4-methoxybenzamide
CID 113055550

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]-4-(trifluoromethyl)benzamide (CID 113055767) is N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]-4-(trifluoromethyl)benzamide is CC(=O)N(CCNC(=O)c1ccc(C(F)(F)F)cc1)CCc1ccc(F)cc1.
What is the InChIKey of N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is UQEXAWABSROYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2O2/c1-14(27)26(12-10-15-2-8-18(21)9-3-15)13-11-25-19(28)16-4-6-17(7-5-16)20(22,23)24/h2-9H,10-13H2,1H3,(H,25,28).
What are the key properties of N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]-4-(trifluoromethyl)benzamide?
N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 396.38 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 113055767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).