3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide

C20H23FN2O4 — CID 113122095

IUPAC3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide
SMILESCOc1ccc(CN(CCC(=O)Nc2ccc(F)cc2)C(C)=O)cc1OC
InChIInChI=1S/C20H23FN2O4/c1-14(24)23(13-15-4-9-18(26-2)19(12-15)27-3)11-10-20(25)22-17-7-5-16(21)6-8-17/h4-9,12H,10-11,13H2,1-3H3,(H,22,25)
InChIKeyHLJBCXATCKSTHG-UHFFFAOYSA-N
MW374.41 g/mol
LogP3.22
Rot. Bonds8

About 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide

3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide (PubChem CID 113122095) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide
PubChem CID113122095
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide
SMILESCOc1ccc(CN(CCC(=O)Nc2ccc(F)cc2)C(C)=O)cc1OC
InChIInChI=1S/C20H23FN2O4/c1-14(24)23(13-15-4-9-18(26-2)19(12-15)27-3)11-10-20(25)22-17-7-5-16(21)6-8-17/h4-9,12H,10-11,13H2,1-3H3,(H,22,25)
InChIKeyHLJBCXATCKSTHG-UHFFFAOYSA-N
XLogP3.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 113119361
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-cyanophenyl)propanamide
CID 113122110
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide
CID 113122084
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide
CID 113119958
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 113119327
N-(4-acetylphenyl)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propanamide
CID 24589003
3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide
CID 113118291
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113121161
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113122091
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113122053
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 113117582
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 113119947

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide (CID 113122095) is 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide is COc1ccc(CN(CCC(=O)Nc2ccc(F)cc2)C(C)=O)cc1OC.
What is the InChIKey of 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide?
The InChIKey is HLJBCXATCKSTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-14(24)23(13-15-4-9-18(26-2)19(12-15)27-3)11-10-20(25)22-17-7-5-16(21)6-8-17/h4-9,12H,10-11,13H2,1-3H3,(H,22,25).
What are the key properties of 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide?
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide has a molecular weight of 374.41 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 113122095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).