N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-methoxybenzamide

C18H20FNO3 — CID 110788878

IUPACN-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-methoxybenzamide
SMILESCCOc1ccc(CCNC(=O)c2ccc(OC)cc2)cc1F
InChIInChI=1S/C18H20FNO3/c1-3-23-17-9-4-13(12-16(17)19)10-11-20-18(21)14-5-7-15(22-2)8-6-14/h4-9,12H,3,10-11H2,1-2H3,(H,20,21)
InChIKeyAKSLPPLYJTZLAP-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.21
Rot. Bonds7

About N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-methoxybenzamide

N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-methoxybenzamide (PubChem CID 110788878) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-methoxybenzamide
PubChem CID110788878
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC NameN-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-methoxybenzamide
SMILESCCOc1ccc(CCNC(=O)c2ccc(OC)cc2)cc1F
InChIInChI=1S/C18H20FNO3/c1-3-23-17-9-4-13(12-16(17)19)10-11-20-18(21)14-5-7-15(22-2)8-6-14/h4-9,12H,3,10-11H2,1-2H3,(H,20,21)
InChIKeyAKSLPPLYJTZLAP-UHFFFAOYSA-N
XLogP3.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
CID 110762214
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 110787525
4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide
CID 9391807
3,4-diethoxy-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 18206885
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 26120167
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-2-sulfanylacetamide
CID 115167384
4-fluoro-N-[2-(7-methoxynaphthalen-2-yl)ethyl]benzamide
CID 19021877
3-ethoxy-N-[2-(3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 18118772
4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659
4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119264756
N-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethoxybenzamide
CID 9474056

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-methoxybenzamide (CID 110788878) is N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-methoxybenzamide is CCOc1ccc(CCNC(=O)c2ccc(OC)cc2)cc1F.
What is the InChIKey of N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-methoxybenzamide?
The InChIKey is AKSLPPLYJTZLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-3-23-17-9-4-13(12-16(17)19)10-11-20-18(21)14-5-7-15(22-2)8-6-14/h4-9,12H,3,10-11H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-methoxybenzamide?
N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-methoxybenzamide has a molecular weight of 317.36 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 110788878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).