3-(2-aminophenyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]propanamide

C18H19F3N2O — CID 120611492

IUPAC3-(2-aminophenyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]propanamide
SMILESNc1ccccc1CCC(=O)Nc1ccc(CCC(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O/c19-18(20,21)12-11-13-5-8-15(9-6-13)23-17(24)10-7-14-3-1-2-4-16(14)22/h1-6,8-9H,7,10-12,22H2,(H,23,24)
InChIKeyWFNRTBOFVYNZSU-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.34
Rot. Bonds6

About 3-(2-aminophenyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]propanamide

3-(2-aminophenyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]propanamide (PubChem CID 120611492) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]propanamide
PubChem CID120611492
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name3-(2-aminophenyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]propanamide
SMILESNc1ccccc1CCC(=O)Nc1ccc(CCC(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O/c19-18(20,21)12-11-13-5-8-15(9-6-13)23-17(24)10-7-14-3-1-2-4-16(14)22/h1-6,8-9H,7,10-12,22H2,(H,23,24)
InChIKeyWFNRTBOFVYNZSU-UHFFFAOYSA-N
XLogP4.34
TPSA55.12 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 ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]propanamide (CID 120611492) is 3-(2-aminophenyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]propanamide is Nc1ccccc1CCC(=O)Nc1ccc(CCC(F)(F)F)cc1.
What is the InChIKey of 3-(2-aminophenyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]propanamide?
The InChIKey is WFNRTBOFVYNZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c19-18(20,21)12-11-13-5-8-15(9-6-13)23-17(24)10-7-14-3-1-2-4-16(14)22/h1-6,8-9H,7,10-12,22H2,(H,23,24).
What are the key properties of 3-(2-aminophenyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]propanamide?
3-(2-aminophenyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]propanamide has a molecular weight of 336.36 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]propanamide is sourced from PubChem (CID 120611492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).