N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide

C18H18ClF3N2O — CID 109036576

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide
SMILESCCN(CCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C18H18ClF3N2O/c1-2-24(14-6-4-3-5-7-14)11-10-17(25)23-16-9-8-13(19)12-15(16)18(20,21)22/h3-9,12H,2,10-11H2,1H3,(H,23,25)
InChIKeyURCCKSWJEVBWCS-UHFFFAOYSA-N
MW370.80 g/mol
LogP5.21
Rot. Bonds6

About N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide (PubChem CID 109036576) has the molecular formula C18H18ClF3N2O and a molecular weight of 370.80 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide
PubChem CID109036576
Molecular FormulaC18H18ClF3N2O
Molecular Weight370.80 g/mol
Exact Mass370.11
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide
SMILESCCN(CCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C18H18ClF3N2O/c1-2-24(14-6-4-3-5-7-14)11-10-17(25)23-16-9-8-13(19)12-15(16)18(20,21)22/h3-9,12H,2,10-11H2,1H3,(H,23,25)
InChIKeyURCCKSWJEVBWCS-UHFFFAOYSA-N
XLogP5.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.80
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dichlorophenyl)-3-(N-ethylanilino)propanamide
CID 109036579
3-[benzyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 109020666
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(dipropylamino)propanamide
CID 109033185
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide
CID 109036553
N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-ethyl-N'-phenyloxamide
CID 108518687
3-[acetyl(butyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 113115887
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbutanamide
CID 842100
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 4-(diethylamino)benzoate
CID 55314076
3-[4-chloro-2-(trifluoromethyl)phenyl]-1-methyl-1-phenylurea
CID 108991173
3-(benzenesulfonyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 110294989
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136419
ethyl 4-[4-chloro-2-(trifluoromethyl)anilino]-4-oxobutanoate
CID 60660652

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide (CID 109036576) is N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide is CCN(CCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide?
The InChIKey is URCCKSWJEVBWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O/c1-2-24(14-6-4-3-5-7-14)11-10-17(25)23-16-9-8-13(19)12-15(16)18(20,21)22/h3-9,12H,2,10-11H2,1H3,(H,23,25).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide has a molecular weight of 370.80 g/mol, XLogP of 5.21, 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]-3-(N-ethylanilino)propanamide is sourced from PubChem (CID 109036576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).