3-(4-cyanophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide

C17H13F3N2O2 — CID 38034874

IUPAC3-(4-cyanophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide
SMILESN#Cc1ccc(CCC(=O)Nc2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)24-15-3-1-2-14(10-15)22-16(23)9-8-12-4-6-13(11-21)7-5-12/h1-7,10H,8-9H2,(H,22,23)
InChIKeyZXEAJDUHQDTYPF-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.03
Rot. Bonds5

About 3-(4-cyanophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide

3-(4-cyanophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide (PubChem CID 38034874) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide
PubChem CID38034874
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name3-(4-cyanophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide
SMILESN#Cc1ccc(CCC(=O)Nc2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)24-15-3-1-2-14(10-15)22-16(23)9-8-12-4-6-13(11-21)7-5-12/h1-7,10H,8-9H2,(H,22,23)
InChIKeyZXEAJDUHQDTYPF-UHFFFAOYSA-N
XLogP4.03
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-cyano-2-methoxyphenoxy)-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 55712515
5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid
CID 43420046
4-[3-(4-cyanophenyl)propanoylamino]benzamide
CID 41484593
3-(1-phenylpyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 38033181
1-(3-cyanophenyl)-3-[3-(trifluoromethoxy)phenyl]thiourea
CID 53488782
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-cyanophenyl)propanamide
CID 33228520
N-[4-(cyanomethyl)phenyl]-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31775100
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
4-(propan-2-ylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 60850049
3-(1H-indol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 53160277
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
6-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]hexanamide
CID 167849259

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 3-(4-cyanophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide (CID 38034874) is 3-(4-cyanophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide is N#Cc1ccc(CCC(=O)Nc2cccc(OC(F)(F)F)c2)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is ZXEAJDUHQDTYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c18-17(19,20)24-15-3-1-2-14(10-15)22-16(23)9-8-12-4-6-13(11-21)7-5-12/h1-7,10H,8-9H2,(H,22,23).
What are the key properties of 3-(4-cyanophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide?
3-(4-cyanophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 334.30 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 38034874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).