3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide

C19H22FNO3 — CID 42990102

IUPAC3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NC(C)c2ccc(F)cc2)cc1OCC
InChIInChI=1S/C19H22FNO3/c1-4-23-17-11-8-15(12-18(17)24-5-2)19(22)21-13(3)14-6-9-16(20)10-7-14/h6-13H,4-5H2,1-3H3,(H,21,22)
InChIKeySKUCNANJDYSZIB-UHFFFAOYSA-N
MW331.39 g/mol
LogP4.11
Rot. Bonds7

About 3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide

3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide (PubChem CID 42990102) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
PubChem CID42990102
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NC(C)c2ccc(F)cc2)cc1OCC
InChIInChI=1S/C19H22FNO3/c1-4-23-17-11-8-15(12-18(17)24-5-2)19(22)21-13(3)14-6-9-16(20)10-7-14/h6-13H,4-5H2,1-3H3,(H,21,22)
InChIKeySKUCNANJDYSZIB-UHFFFAOYSA-N
XLogP4.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-triethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 7696716
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 43022798
N-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide
CID 112763849
N-[2-[1-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 46414977
4-ethoxy-N-[1-(4-fluorophenyl)ethyl]-3-[(2-propan-2-ylphenoxy)methyl]benzamide
CID 133238912
4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 2450618
4-(difluoromethoxy)-3-ethoxy-N-(1-phenylethyl)benzamide
CID 42906041
4-ethoxy-3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 28558297
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide
CID 7936483
N-[(1S)-1-(4-bromophenyl)ethyl]-4-ethoxy-3-methylbenzamide
CID 28558276

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide (CID 42990102) is 3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide is CCOc1ccc(C(=O)NC(C)c2ccc(F)cc2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is SKUCNANJDYSZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-4-23-17-11-8-15(12-18(17)24-5-2)19(22)21-13(3)14-6-9-16(20)10-7-14/h6-13H,4-5H2,1-3H3,(H,21,22).
What are the key properties of 3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide?
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 331.39 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 42990102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).