N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetamide

C19H19ClF4N2O — CID 55838949

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)c1ccc(F)cc1
InChIInChI=1S/C19H19ClF4N2O/c1-3-26(12(2)13-4-7-15(21)8-5-13)11-18(27)25-17-9-6-14(20)10-16(17)19(22,23)24/h4-10,12H,3,11H2,1-2H3,(H,25,27)
InChIKeyQVSSBHKOVNFGLX-UHFFFAOYSA-N
MW402.82 g/mol
LogP5.52
Rot. Bonds6

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetamide (PubChem CID 55838949) has the molecular formula C19H19ClF4N2O and a molecular weight of 402.82 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetamide
PubChem CID55838949
Molecular FormulaC19H19ClF4N2O
Molecular Weight402.82 g/mol
Exact Mass402.11
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)c1ccc(F)cc1
InChIInChI=1S/C19H19ClF4N2O/c1-3-26(12(2)13-4-7-15(21)8-5-13)11-18(27)25-17-9-6-14(20)10-16(17)19(22,23)24/h4-10,12H,3,11H2,1-2H3,(H,25,27)
InChIKeyQVSSBHKOVNFGLX-UHFFFAOYSA-N
XLogP5.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.82
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(3-methylbutyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 113166628
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 2427329
3-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea
CID 113229852
4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 81070111
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 112798512
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(dipropylamino)propanamide
CID 109033185
N-cyclopropyl-2-[[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetyl]amino]benzamide
CID 55837800
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 3338455
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylbutyl)urea
CID 47325404
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropylamino)propanamide
CID 109012899
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197689

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetamide (CID 55838949) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetamide is CCN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)c1ccc(F)cc1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetamide?
The InChIKey is QVSSBHKOVNFGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF4N2O/c1-3-26(12(2)13-4-7-15(21)8-5-13)11-18(27)25-17-9-6-14(20)10-16(17)19(22,23)24/h4-10,12H,3,11H2,1-2H3,(H,25,27).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetamide has a molecular weight of 402.82 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 55838949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).