3-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide

C18H19F3N2O — CID 109020331

IUPAC3-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(NCCC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H19F3N2O/c1-13(14-5-3-2-4-6-14)22-12-11-17(24)23-16-9-7-15(8-10-16)18(19,20)21/h2-10,13,22H,11-12H2,1H3,(H,23,24)
InChIKeyRMAMUYQKHRIWBI-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.38
Rot. Bonds6

About 3-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide

3-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 109020331) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is 3-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID109020331
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name3-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(NCCC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H19F3N2O/c1-13(14-5-3-2-4-6-14)22-12-11-17(24)23-16-9-7-15(8-10-16)18(19,20)21/h2-10,13,22H,11-12H2,1H3,(H,23,24)
InChIKeyRMAMUYQKHRIWBI-UHFFFAOYSA-N
XLogP4.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-3-(1-phenylethylamino)propanamide
CID 109020280
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylethylamino)propanamide
CID 109020364
1-[(1S)-1-phenylethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 52592652
2-(benzhydrylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2451774
3-(benzylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42695490
3-(1-phenylethylamino)propanoic acid
CID 2826777
2-benzhydrylsulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7961955
3-[benzyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109031832
N-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898362
N-[4-[[1-[4-(trifluoromethyl)phenyl]ethylamino]methyl]phenyl]acetamide
CID 42955452
3-[[(1-benzylbenzimidazol-2-yl)-hydroxymethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 143645271
6-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109118785

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide (CID 109020331) is 3-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide is CC(NCCC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 3-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is RMAMUYQKHRIWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-13(14-5-3-2-4-6-14)22-12-11-17(24)23-16-9-7-15(8-10-16)18(19,20)21/h2-10,13,22H,11-12H2,1H3,(H,23,24).
What are the key properties of 3-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide?
3-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 336.36 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 109020331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).