2-[1-(3-chlorophenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide

C18H18ClF3N2O — CID 51243791

IUPAC2-[1-(3-chlorophenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(NC(C)c1cccc(Cl)c1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H18ClF3N2O/c1-11(13-6-5-7-14(19)10-13)23-12(2)17(25)24-16-9-4-3-8-15(16)18(20,21)22/h3-12,23H,1-2H3,(H,24,25)
InChIKeyDHTODUXTXNVZQS-UHFFFAOYSA-N
MW370.80 g/mol
LogP5.04
Rot. Bonds5

About 2-[1-(3-chlorophenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide

2-[1-(3-chlorophenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 51243791) has the molecular formula C18H18ClF3N2O and a molecular weight of 370.80 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID51243791
Molecular FormulaC18H18ClF3N2O
Molecular Weight370.80 g/mol
Exact Mass370.11
IUPAC Name2-[1-(3-chlorophenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(NC(C)c1cccc(Cl)c1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H18ClF3N2O/c1-11(13-6-5-7-14(19)10-13)23-12(2)17(25)24-16-9-4-3-8-15(16)18(20,21)22/h3-12,23H,1-2H3,(H,24,25)
InChIKeyDHTODUXTXNVZQS-UHFFFAOYSA-N
XLogP5.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.80
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-[1-(3-chlorophenyl)ethylamino]propanamide
CID 78636483
2-[1-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)propanamide
CID 46667108
2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242458
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 9442657
(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307503
(2R)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307505
2-[1-(3-chlorophenyl)ethylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 112810915
2-[1-(3-chlorophenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 45281792
2-[1-[4-(diethylsulfamoyl)phenyl]ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55432689
N-butan-2-yl-2-[1-(3-chlorophenyl)ethylamino]propanamide
CID 60719366
2-[1-(3-chlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide
CID 51243795
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 2204915

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-[1-(3-chlorophenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide (CID 51243791) is 2-[1-(3-chlorophenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide is CC(NC(C)c1cccc(Cl)c1)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[1-(3-chlorophenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is DHTODUXTXNVZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O/c1-11(13-6-5-7-14(19)10-13)23-12(2)17(25)24-16-9-4-3-8-15(16)18(20,21)22/h3-12,23H,1-2H3,(H,24,25).
What are the key properties of 2-[1-(3-chlorophenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide?
2-[1-(3-chlorophenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 370.80 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 51243791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).