N-ethyl-4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide

C19H22FNO2 — CID 78847364

IUPACN-ethyl-4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide
SMILESCCN(C(=O)CCCOc1ccc(F)cc1)c1ccccc1C
InChIInChI=1S/C19H22FNO2/c1-3-21(18-8-5-4-7-15(18)2)19(22)9-6-14-23-17-12-10-16(20)11-13-17/h4-5,7-8,10-13H,3,6,9,14H2,1-2H3
InChIKeyRWSPBVQICGXDJC-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.35
Rot. Bonds7

About N-ethyl-4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide

N-ethyl-4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide (PubChem CID 78847364) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is N-ethyl-4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide.

Molecular Properties

Compound NameN-ethyl-4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide
PubChem CID78847364
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC NameN-ethyl-4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide
SMILESCCN(C(=O)CCCOc1ccc(F)cc1)c1ccccc1C
InChIInChI=1S/C19H22FNO2/c1-3-21(18-8-5-4-7-15(18)2)19(22)9-6-14-23-17-12-10-16(20)11-13-17/h4-5,7-8,10-13H,3,6,9,14H2,1-2H3
InChIKeyRWSPBVQICGXDJC-UHFFFAOYSA-N
XLogP4.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxyphenyl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 86922113
4-(4-acetylphenoxy)-N-(2,4-dimethylphenyl)-N-ethylbutanamide
CID 78853768
N-butyl-4-(4-fluorophenoxy)-N-methylbutanamide
CID 110487595
2-(4-cyanophenoxy)-N-ethyl-N-(2-methylphenyl)acetamide
CID 24690300
4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide
CID 86919949
3-[ethyl-[4-(4-fluorophenoxy)butanoyl]amino]propanoic acid
CID 61006801
4-(4-acetylphenoxy)-N-ethyl-N-(3-fluorophenyl)butanamide
CID 112817531
N-ethyl-N-(4-fluorophenyl)-4-methoxybutanamide
CID 78883434
N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 86909745
2-[4-(4-fluorophenoxy)butanoyl-methylamino]propanoic acid
CID 62628008
N-[2-(N-dodecanoyl-2-methylanilino)ethyl]-N-(2-methylphenyl)dodecanamide
CID 4038839
2-[4-(4-fluorophenoxy)butanoyl-methylamino]acetic acid
CID 43356123

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide?
The IUPAC name of N-ethyl-4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide (CID 78847364) is N-ethyl-4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide.
What is the SMILES notation for N-ethyl-4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide?
The canonical SMILES for N-ethyl-4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide is CCN(C(=O)CCCOc1ccc(F)cc1)c1ccccc1C.
What is the InChIKey of N-ethyl-4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide?
The InChIKey is RWSPBVQICGXDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-3-21(18-8-5-4-7-15(18)2)19(22)9-6-14-23-17-12-10-16(20)11-13-17/h4-5,7-8,10-13H,3,6,9,14H2,1-2H3.
What are the key properties of N-ethyl-4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide?
N-ethyl-4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide has a molecular weight of 315.39 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide is sourced from PubChem (CID 78847364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).