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

C18H18ClF3N2O — CID 109020364

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylethylamino)propanamide
SMILESCC(NCCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C18H18ClF3N2O/c1-12(13-5-3-2-4-6-13)23-10-9-17(25)24-14-7-8-16(19)15(11-14)18(20,21)22/h2-8,11-12,23H,9-10H2,1H3,(H,24,25)
InChIKeyIDEBDJRVEUMTOH-UHFFFAOYSA-N
MW370.80 g/mol
LogP5.04
Rot. Bonds6

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylethylamino)propanamide (PubChem CID 109020364) has the molecular formula C18H18ClF3N2O and a molecular weight of 370.80 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylethylamino)propanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylethylamino)propanamide
PubChem CID109020364
Molecular FormulaC18H18ClF3N2O
Molecular Weight370.80 g/mol
Exact Mass370.11
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylethylamino)propanamide
SMILESCC(NCCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C18H18ClF3N2O/c1-12(13-5-3-2-4-6-13)23-10-9-17(25)24-14-7-8-16(19)15(11-14)18(20,21)22/h2-8,11-12,23H,9-10H2,1H3,(H,24,25)
InChIKeyIDEBDJRVEUMTOH-UHFFFAOYSA-N
XLogP5.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-phenylethylamino)acetamide
CID 84867134
3-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109020331
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79017846
3-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 109019052
N-phenyl-3-(1-phenylethylamino)propanamide
CID 109020280
N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 33165211
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 60646948
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pyridin-2-ylmethylamino)propanamide
CID 109023445
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pentylamino)propanamide
CID 109032309
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-3-phenylpropanamide
CID 727661
N'-benzhydryl-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108507995

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylethylamino)propanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylethylamino)propanamide (CID 109020364) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylethylamino)propanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylethylamino)propanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylethylamino)propanamide is CC(NCCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylethylamino)propanamide?
The InChIKey is IDEBDJRVEUMTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O/c1-12(13-5-3-2-4-6-13)23-10-9-17(25)24-14-7-8-16(19)15(11-14)18(20,21)22/h2-8,11-12,23H,9-10H2,1H3,(H,24,25).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylethylamino)propanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylethylamino)propanamide has a molecular weight of 370.80 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylethylamino)propanamide is sourced from PubChem (CID 109020364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).