3-[2-(4-fluorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide

C18H18F4N2O — CID 109025174

IUPAC3-[2-(4-fluorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCNCCc1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F4N2O/c19-15-5-1-13(2-6-15)9-11-23-12-10-17(25)24-16-7-3-14(4-8-16)18(20,21)22/h1-8,23H,9-12H2,(H,24,25)
InChIKeyHHXQJBVWVMELCJ-UHFFFAOYSA-N
MW354.35 g/mol
LogP4.01
Rot. Bonds7

About 3-[2-(4-fluorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide

3-[2-(4-fluorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 109025174) has the molecular formula C18H18F4N2O and a molecular weight of 354.35 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID109025174
Molecular FormulaC18H18F4N2O
Molecular Weight354.35 g/mol
Exact Mass354.14
IUPAC Name3-[2-(4-fluorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCNCCc1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F4N2O/c19-15-5-1-13(2-6-15)9-11-23-12-10-17(25)24-16-7-3-14(4-8-16)18(20,21)22/h1-8,23H,9-12H2,(H,24,25)
InChIKeyHHXQJBVWVMELCJ-UHFFFAOYSA-N
XLogP4.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 27844351
3-[2-(3-chlorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109033349
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113121176
3-[2-(2-methoxyphenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109025439
3-(benzylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42695490
N-(2,6-dichlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025214
3-(4-fluorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
CID 110622806
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113164436
3-(ethylamino)-N-(4-fluorophenyl)propanamide
CID 62832288
2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9251999
4-(4-fluorophenyl)-N-[4-(2-hydrazinylethyl)phenyl]butanamide
CID 77014312
N-(4-bromophenyl)-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021254

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[2-(4-fluorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide (CID 109025174) is 3-[2-(4-fluorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide is O=C(CCNCCc1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is HHXQJBVWVMELCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2O/c19-15-5-1-13(2-6-15)9-11-23-12-10-17(25)24-16-7-3-14(4-8-16)18(20,21)22/h1-8,23H,9-12H2,(H,24,25).
What are the key properties of 3-[2-(4-fluorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide?
3-[2-(4-fluorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 354.35 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 109025174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).