N-(2-amino-2-oxoethyl)-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]benzamide

C18H16F4N2O2 — CID 144887962

IUPACN-(2-amino-2-oxoethyl)-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCC(c1cc(F)cc(C(F)(F)F)c1)N(CC(N)=O)C(=O)c1ccccc1
InChIInChI=1S/C18H16F4N2O2/c1-11(13-7-14(18(20,21)22)9-15(19)8-13)24(10-16(23)25)17(26)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H2,23,25)
InChIKeySQRSVRYZFLKSNC-UHFFFAOYSA-N
MW368.33 g/mol
LogP3.53
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]benzamide

N-(2-amino-2-oxoethyl)-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 144887962) has the molecular formula C18H16F4N2O2 and a molecular weight of 368.33 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID144887962
Molecular FormulaC18H16F4N2O2
Molecular Weight368.33 g/mol
Exact Mass368.11
IUPAC NameN-(2-amino-2-oxoethyl)-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCC(c1cc(F)cc(C(F)(F)F)c1)N(CC(N)=O)C(=O)c1ccccc1
InChIInChI=1S/C18H16F4N2O2/c1-11(13-7-14(18(20,21)22)9-15(19)8-13)24(10-16(23)25)17(26)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H2,23,25)
InChIKeySQRSVRYZFLKSNC-UHFFFAOYSA-N
XLogP3.53
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-oxoethyl)-N-[1-(3-cyclopropyl-5-fluorophenyl)ethyl]benzamide;benzene
CID 144888056
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 118247039
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 118246848
3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(methylamino)propanamide
CID 115351328
4-amino-3-[3-fluoro-5-(trifluoromethyl)phenyl]pentanoic acid
CID 113292119
(3S)-3-amino-3-[3-fluoro-5-(trifluoromethyl)phenyl]propanoic acid
CID 79015931
2-[acetyl(ethyl)amino]-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid
CID 115350944
1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine
CID 18543066
3-fluorobenzoic acid;3-fluoro-5-(trifluoromethyl)benzoic acid
CID 160578219
(2S)-2-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]propanamide;hydrochloride
CID 119337389
2-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanol
CID 115350271
2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 79021468

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]benzamide (CID 144887962) is N-(2-amino-2-oxoethyl)-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]benzamide is CC(c1cc(F)cc(C(F)(F)F)c1)N(CC(N)=O)C(=O)c1ccccc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is SQRSVRYZFLKSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O2/c1-11(13-7-14(18(20,21)22)9-15(19)8-13)24(10-16(23)25)17(26)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H2,23,25).
What are the key properties of N-(2-amino-2-oxoethyl)-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]benzamide?
N-(2-amino-2-oxoethyl)-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 368.33 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 144887962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).