4-ethoxy-N-[1-(4-fluorophenyl)ethyl]-3-[(2-propan-2-ylphenoxy)methyl]benzamide

C27H30FNO3 — CID 133238912

IUPAC4-ethoxy-N-[1-(4-fluorophenyl)ethyl]-3-[(2-propan-2-ylphenoxy)methyl]benzamide
SMILESCCOc1ccc(C(=O)NC(C)c2ccc(F)cc2)cc1COc1ccccc1C(C)C
InChIInChI=1S/C27H30FNO3/c1-5-31-25-15-12-21(27(30)29-19(4)20-10-13-23(28)14-11-20)16-22(25)17-32-26-9-7-6-8-24(26)18(2)3/h6-16,18-19H,5,17H2,1-4H3,(H,29,30)
InChIKeyZNDFGINDDFKFFD-UHFFFAOYSA-N
MW435.54 g/mol
LogP6.42
Rot. Bonds9

About 4-ethoxy-N-[1-(4-fluorophenyl)ethyl]-3-[(2-propan-2-ylphenoxy)methyl]benzamide

4-ethoxy-N-[1-(4-fluorophenyl)ethyl]-3-[(2-propan-2-ylphenoxy)methyl]benzamide (PubChem CID 133238912) has the molecular formula C27H30FNO3 and a molecular weight of 435.54 g/mol. Its IUPAC name is 4-ethoxy-N-[1-(4-fluorophenyl)ethyl]-3-[(2-propan-2-ylphenoxy)methyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[1-(4-fluorophenyl)ethyl]-3-[(2-propan-2-ylphenoxy)methyl]benzamide
PubChem CID133238912
Molecular FormulaC27H30FNO3
Molecular Weight435.54 g/mol
Exact Mass435.22
IUPAC Name4-ethoxy-N-[1-(4-fluorophenyl)ethyl]-3-[(2-propan-2-ylphenoxy)methyl]benzamide
SMILESCCOc1ccc(C(=O)NC(C)c2ccc(F)cc2)cc1COc1ccccc1C(C)C
InChIInChI=1S/C27H30FNO3/c1-5-31-25-15-12-21(27(30)29-19(4)20-10-13-23(28)14-11-20)16-22(25)17-32-26-9-7-6-8-24(26)18(2)3/h6-16,18-19H,5,17H2,1-4H3,(H,29,30)
InChIKeyZNDFGINDDFKFFD-UHFFFAOYSA-N
XLogP6.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.54
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
3,4,5-triethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 7696716
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
3-[(3,5-dimethylphenoxy)methyl]-N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 133178007
4-ethoxy-N-(oxolan-2-ylmethyl)-3-[(2-propan-2-ylphenoxy)methyl]benzamide
CID 133238905
4-(difluoromethoxy)-3-ethoxy-N-(1-phenylethyl)benzamide
CID 42906041
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607
N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 43022798
2-(2-ethoxyphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 7930315
N-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide
CID 112763849
4-ethoxy-3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 28558297
N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(naphthalen-2-yloxymethyl)benzamide
CID 133178380

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-(4-fluorophenyl)ethyl]-3-[(2-propan-2-ylphenoxy)methyl]benzamide?
The IUPAC name of 4-ethoxy-N-[1-(4-fluorophenyl)ethyl]-3-[(2-propan-2-ylphenoxy)methyl]benzamide (CID 133238912) is 4-ethoxy-N-[1-(4-fluorophenyl)ethyl]-3-[(2-propan-2-ylphenoxy)methyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[1-(4-fluorophenyl)ethyl]-3-[(2-propan-2-ylphenoxy)methyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[1-(4-fluorophenyl)ethyl]-3-[(2-propan-2-ylphenoxy)methyl]benzamide is CCOc1ccc(C(=O)NC(C)c2ccc(F)cc2)cc1COc1ccccc1C(C)C.
What is the InChIKey of 4-ethoxy-N-[1-(4-fluorophenyl)ethyl]-3-[(2-propan-2-ylphenoxy)methyl]benzamide?
The InChIKey is ZNDFGINDDFKFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FNO3/c1-5-31-25-15-12-21(27(30)29-19(4)20-10-13-23(28)14-11-20)16-22(25)17-32-26-9-7-6-8-24(26)18(2)3/h6-16,18-19H,5,17H2,1-4H3,(H,29,30).
What are the key properties of 4-ethoxy-N-[1-(4-fluorophenyl)ethyl]-3-[(2-propan-2-ylphenoxy)methyl]benzamide?
4-ethoxy-N-[1-(4-fluorophenyl)ethyl]-3-[(2-propan-2-ylphenoxy)methyl]benzamide has a molecular weight of 435.54 g/mol, XLogP of 6.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-(4-fluorophenyl)ethyl]-3-[(2-propan-2-ylphenoxy)methyl]benzamide is sourced from PubChem (CID 133238912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).