4-(4-cyano-2-methoxyphenoxy)-N-[3-(trifluoromethoxy)phenyl]butanamide

C19H17F3N2O4 — CID 55712515

IUPAC4-(4-cyano-2-methoxyphenoxy)-N-[3-(trifluoromethoxy)phenyl]butanamide
SMILESCOc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H17F3N2O4/c1-26-17-10-13(12-23)7-8-16(17)27-9-3-6-18(25)24-14-4-2-5-15(11-14)28-19(20,21)22/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,24,25)
InChIKeyQJTDVHQVECZGQY-UHFFFAOYSA-N
MW394.35 g/mol
LogP4.26
Rot. Bonds8

About 4-(4-cyano-2-methoxyphenoxy)-N-[3-(trifluoromethoxy)phenyl]butanamide

4-(4-cyano-2-methoxyphenoxy)-N-[3-(trifluoromethoxy)phenyl]butanamide (PubChem CID 55712515) has the molecular formula C19H17F3N2O4 and a molecular weight of 394.35 g/mol. Its IUPAC name is 4-(4-cyano-2-methoxyphenoxy)-N-[3-(trifluoromethoxy)phenyl]butanamide.

Molecular Properties

Compound Name4-(4-cyano-2-methoxyphenoxy)-N-[3-(trifluoromethoxy)phenyl]butanamide
PubChem CID55712515
Molecular FormulaC19H17F3N2O4
Molecular Weight394.35 g/mol
Exact Mass394.11
IUPAC Name4-(4-cyano-2-methoxyphenoxy)-N-[3-(trifluoromethoxy)phenyl]butanamide
SMILESCOc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H17F3N2O4/c1-26-17-10-13(12-23)7-8-16(17)27-9-3-6-18(25)24-14-4-2-5-15(11-14)28-19(20,21)22/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,24,25)
InChIKeyQJTDVHQVECZGQY-UHFFFAOYSA-N
XLogP4.26
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-cyano-2-methoxyphenoxy)-N-[3-(difluoromethoxy)phenyl]butanamide
CID 55742192
4-(4-cyano-2-methoxyphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 55719091
4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide
CID 46484895
3-(4-cyanophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 38034874
4-(4-cyano-2-methoxyphenoxy)-N-[3-(cyclopropylmethoxymethyl)phenyl]butanamide
CID 48585204
4-(4-cyano-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 78789106
4-(4-cyano-2-methoxyphenoxy)-N-(1-phenylpyrazol-4-yl)butanamide
CID 60590949
5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid
CID 43420046
4-(4-cyano-2-methoxyphenoxy)-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]butanamide
CID 71685323
4-(4-cyano-2-methoxyphenoxy)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide
CID 55718903
6-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]hexanamide
CID 167849259
N-[3-[[4-(4-cyano-2-methoxyphenoxy)butanoylamino]methyl]phenyl]-3-fluorobenzamide
CID 55894063

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-[3-(trifluoromethoxy)phenyl]butanamide?
The IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-[3-(trifluoromethoxy)phenyl]butanamide (CID 55712515) is 4-(4-cyano-2-methoxyphenoxy)-N-[3-(trifluoromethoxy)phenyl]butanamide.
What is the SMILES notation for 4-(4-cyano-2-methoxyphenoxy)-N-[3-(trifluoromethoxy)phenyl]butanamide?
The canonical SMILES for 4-(4-cyano-2-methoxyphenoxy)-N-[3-(trifluoromethoxy)phenyl]butanamide is COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 4-(4-cyano-2-methoxyphenoxy)-N-[3-(trifluoromethoxy)phenyl]butanamide?
The InChIKey is QJTDVHQVECZGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O4/c1-26-17-10-13(12-23)7-8-16(17)27-9-3-6-18(25)24-14-4-2-5-15(11-14)28-19(20,21)22/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,24,25).
What are the key properties of 4-(4-cyano-2-methoxyphenoxy)-N-[3-(trifluoromethoxy)phenyl]butanamide?
4-(4-cyano-2-methoxyphenoxy)-N-[3-(trifluoromethoxy)phenyl]butanamide has a molecular weight of 394.35 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2-methoxyphenoxy)-N-[3-(trifluoromethoxy)phenyl]butanamide is sourced from PubChem (CID 55712515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).