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

C19H18F2N2O4 — CID 55742192

IUPAC4-(4-cyano-2-methoxyphenoxy)-N-[3-(difluoromethoxy)phenyl]butanamide
SMILESCOc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C19H18F2N2O4/c1-25-17-10-13(12-22)7-8-16(17)26-9-3-6-18(24)23-14-4-2-5-15(11-14)27-19(20)21/h2,4-5,7-8,10-11,19H,3,6,9H2,1H3,(H,23,24)
InChIKeyOJLHLJVZUCHFGO-UHFFFAOYSA-N
MW376.36 g/mol
LogP3.97
Rot. Bonds9

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

4-(4-cyano-2-methoxyphenoxy)-N-[3-(difluoromethoxy)phenyl]butanamide (PubChem CID 55742192) has the molecular formula C19H18F2N2O4 and a molecular weight of 376.36 g/mol. Its IUPAC name is 4-(4-cyano-2-methoxyphenoxy)-N-[3-(difluoromethoxy)phenyl]butanamide.

Molecular Properties

Compound Name4-(4-cyano-2-methoxyphenoxy)-N-[3-(difluoromethoxy)phenyl]butanamide
PubChem CID55742192
Molecular FormulaC19H18F2N2O4
Molecular Weight376.36 g/mol
Exact Mass376.12
IUPAC Name4-(4-cyano-2-methoxyphenoxy)-N-[3-(difluoromethoxy)phenyl]butanamide
SMILESCOc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C19H18F2N2O4/c1-25-17-10-13(12-22)7-8-16(17)26-9-3-6-18(24)23-14-4-2-5-15(11-14)27-19(20)21/h2,4-5,7-8,10-11,19H,3,6,9H2,1H3,(H,23,24)
InChIKeyOJLHLJVZUCHFGO-UHFFFAOYSA-N
XLogP3.97
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 53.97
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-(trifluoromethoxy)phenyl]butanamide
CID 55712515
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
4-(4-cyano-2-methoxyphenoxy)-N-[1-[2-(difluoromethoxy)phenyl]propyl]butanamide
CID 46485327
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
N-[3-[[4-(4-cyano-2-methoxyphenoxy)butanoylamino]methyl]phenyl]-3-fluorobenzamide
CID 55894063
N-(3-cyanophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110428452
3-[4-(4-cyano-2-methoxyphenoxy)butanoylamino]-5-fluoro-4-methylbenzamide
CID 55784723
4-(4-cyano-2-methoxyphenoxy)-N-(1H-pyrazol-5-yl)butanamide
CID 47835221
2-(4-cyano-2-methoxyphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 55653541

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-[3-(difluoromethoxy)phenyl]butanamide?
The IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-[3-(difluoromethoxy)phenyl]butanamide (CID 55742192) is 4-(4-cyano-2-methoxyphenoxy)-N-[3-(difluoromethoxy)phenyl]butanamide.
What is the SMILES notation for 4-(4-cyano-2-methoxyphenoxy)-N-[3-(difluoromethoxy)phenyl]butanamide?
The canonical SMILES for 4-(4-cyano-2-methoxyphenoxy)-N-[3-(difluoromethoxy)phenyl]butanamide is COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(OC(F)F)c1.
What is the InChIKey of 4-(4-cyano-2-methoxyphenoxy)-N-[3-(difluoromethoxy)phenyl]butanamide?
The InChIKey is OJLHLJVZUCHFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O4/c1-25-17-10-13(12-22)7-8-16(17)26-9-3-6-18(24)23-14-4-2-5-15(11-14)27-19(20)21/h2,4-5,7-8,10-11,19H,3,6,9H2,1H3,(H,23,24).
What are the key properties of 4-(4-cyano-2-methoxyphenoxy)-N-[3-(difluoromethoxy)phenyl]butanamide?
4-(4-cyano-2-methoxyphenoxy)-N-[3-(difluoromethoxy)phenyl]butanamide has a molecular weight of 376.36 g/mol, XLogP of 3.97, 9 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-(difluoromethoxy)phenyl]butanamide is sourced from PubChem (CID 55742192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).