3-(1H-indol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide

C18H15F3N2O2 — CID 53160277

IUPAC3-(1H-indol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(CCc1cccc2[nH]ccc12)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C18H15F3N2O2/c19-18(20,21)25-14-5-2-4-13(11-14)23-17(24)8-7-12-3-1-6-16-15(12)9-10-22-16/h1-6,9-11,22H,7-8H2,(H,23,24)
InChIKeyOTVQFRVNEKYDIG-UHFFFAOYSA-N
MW348.32 g/mol
LogP4.64
Rot. Bonds5

About 3-(1H-indol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide

3-(1H-indol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide (PubChem CID 53160277) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is 3-(1H-indol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
PubChem CID53160277
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name3-(1H-indol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(CCc1cccc2[nH]ccc12)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C18H15F3N2O2/c19-18(20,21)25-14-5-2-4-13(11-14)23-17(24)8-7-12-3-1-6-16-15(12)9-10-22-16/h1-6,9-11,22H,7-8H2,(H,23,24)
InChIKeyOTVQFRVNEKYDIG-UHFFFAOYSA-N
XLogP4.64
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetylphenyl)-3-(1H-indol-4-yl)propanamide
CID 53160273
3-(1H-indol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide
CID 6736716
5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid
CID 43420046
3-(4-cyanophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 38034874
3-(1H-indol-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 2129206
6-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]hexanamide
CID 167849259
N-(2-ethoxyphenyl)-3-(1H-indol-4-yl)propanamide
CID 53160274
2-(4-fluorophenyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 38033659
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
4-(propan-2-ylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 60850049
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
tert-butyl N-[3-oxo-3-[3-(trifluoromethoxy)anilino]propyl]carbamate
CID 38207855

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 3-(1H-indol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide (CID 53160277) is 3-(1H-indol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(1H-indol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 3-(1H-indol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide is O=C(CCc1cccc2[nH]ccc12)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-(1H-indol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is OTVQFRVNEKYDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c19-18(20,21)25-14-5-2-4-13(11-14)23-17(24)8-7-12-3-1-6-16-15(12)9-10-22-16/h1-6,9-11,22H,7-8H2,(H,23,24).
What are the key properties of 3-(1H-indol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide?
3-(1H-indol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 348.32 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 53160277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).