N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide

C18H20FNO5 — CID 99903135

IUPACN-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@@H](O)c2ccc(OC)c(OC)c2)cc1F
InChIInChI=1S/C18H20FNO5/c1-23-15-6-5-12(8-13(15)19)18(22)20-10-14(21)11-4-7-16(24-2)17(9-11)25-3/h4-9,14,21H,10H2,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeyBABDJGYTOHTRCF-CQSZACIVSA-N
MW349.36 g/mol
LogP2.31
Rot. Bonds7

About N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide

N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide (PubChem CID 99903135) has the molecular formula C18H20FNO5 and a molecular weight of 349.36 g/mol. Its IUPAC name is N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide
PubChem CID99903135
Molecular FormulaC18H20FNO5
Molecular Weight349.36 g/mol
Exact Mass349.13
IUPAC NameN-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@@H](O)c2ccc(OC)c(OC)c2)cc1F
InChIInChI=1S/C18H20FNO5/c1-23-15-6-5-12(8-13(15)19)18(22)20-10-14(21)11-4-7-16(24-2)17(9-11)25-3/h4-9,14,21H,10H2,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeyBABDJGYTOHTRCF-CQSZACIVSA-N
XLogP2.31
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-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-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
CID 90613299
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3,4-diethoxybenzamide
CID 90613391
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 90613273
N-(2-chloropropyl)-3-fluoro-4-methoxybenzamide
CID 114296589
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]thiophene-3-carboxamide
CID 99903101
3-fluoro-N-(2-hydroxy-3-phenylpropyl)-4-methoxybenzamide
CID 86264345
3-cyano-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
CID 90613283
N-(2-bromo-3-ethylpentyl)-3-fluoro-4-methoxybenzamide
CID 106288554
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 40901223
N-(3-chloro-2-methylpropyl)-3-fluoro-4-methoxybenzamide
CID 114302762
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide
CID 597490
4-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
CID 90613417

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide (CID 99903135) is N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NC[C@@H](O)c2ccc(OC)c(OC)c2)cc1F.
What is the InChIKey of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide?
The InChIKey is BABDJGYTOHTRCF-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20FNO5/c1-23-15-6-5-12(8-13(15)19)18(22)20-10-14(21)11-4-7-16(24-2)17(9-11)25-3/h4-9,14,21H,10H2,1-3H3,(H,20,22)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide?
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide has a molecular weight of 349.36 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 99903135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).