4-(4-methylphenoxy)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide

C19H19F3N2O3 — CID 108933281

IUPAC4-(4-methylphenoxy)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
SMILESCc1ccc(OCCCC(=O)Nc2cccc(NC(=O)C(F)(F)F)c2)cc1
InChIInChI=1S/C19H19F3N2O3/c1-13-7-9-16(10-8-13)27-11-3-6-17(25)23-14-4-2-5-15(12-14)24-18(26)19(20,21)22/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,23,25)(H,24,26)
InChIKeyOMXGPTLSUQYRIH-UHFFFAOYSA-N
MW380.37 g/mol
LogP4.29
Rot. Bonds7

About 4-(4-methylphenoxy)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide

4-(4-methylphenoxy)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide (PubChem CID 108933281) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide.

Molecular Properties

Compound Name4-(4-methylphenoxy)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
PubChem CID108933281
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name4-(4-methylphenoxy)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
SMILESCc1ccc(OCCCC(=O)Nc2cccc(NC(=O)C(F)(F)F)c2)cc1
InChIInChI=1S/C19H19F3N2O3/c1-13-7-9-16(10-8-13)27-11-3-6-17(25)23-14-4-2-5-15(12-14)24-18(26)19(20,21)22/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,23,25)(H,24,26)
InChIKeyOMXGPTLSUQYRIH-UHFFFAOYSA-N
XLogP4.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide
CID 2709974
N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-4-(4-methylphenoxy)butanamide
CID 108768505
4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide
CID 7732946
butyl 3-[4-(4-methylphenoxy)butanoylamino]benzoate
CID 19173477
4-(4-bromo-2-chlorophenoxy)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
CID 108933284
3-(4-methylphenoxy)-N-[3-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 31874270
N-(4-butoxyphenyl)-2,2,2-trifluoroacetamide
CID 5133373
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641
N-[(3-bromophenyl)carbamothioyl]-4-(4-methylphenoxy)butanamide
CID 19188591
4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide
CID 26161284
2-[3-(4-methylphenoxy)propylsulfanyl]-N-(3-methylphenyl)acetamide
CID 40545696
N-(4-ethoxy-3-methoxyphenyl)-4-(4-methylphenoxy)butanamide
CID 9103080

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide?
The IUPAC name of 4-(4-methylphenoxy)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide (CID 108933281) is 4-(4-methylphenoxy)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide.
What is the SMILES notation for 4-(4-methylphenoxy)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide?
The canonical SMILES for 4-(4-methylphenoxy)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide is Cc1ccc(OCCCC(=O)Nc2cccc(NC(=O)C(F)(F)F)c2)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide?
The InChIKey is OMXGPTLSUQYRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-13-7-9-16(10-8-13)27-11-3-6-17(25)23-14-4-2-5-15(12-14)24-18(26)19(20,21)22/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 4-(4-methylphenoxy)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide?
4-(4-methylphenoxy)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide has a molecular weight of 380.37 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide is sourced from PubChem (CID 108933281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).