2-cyclopropyl-N-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)acetamide

C19H20FNO3 — CID 110356066

IUPAC2-cyclopropyl-N-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)acetamide
SMILESCOc1ccc(NC(=O)C(c2ccc(F)cc2)C2CC2)cc1OC
InChIInChI=1S/C19H20FNO3/c1-23-16-10-9-15(11-17(16)24-2)21-19(22)18(12-3-4-12)13-5-7-14(20)8-6-13/h5-12,18H,3-4H2,1-2H3,(H,21,22)
InChIKeyITMFZRXWZIUCEC-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.98
Rot. Bonds6

About 2-cyclopropyl-N-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)acetamide

2-cyclopropyl-N-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)acetamide (PubChem CID 110356066) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 2-cyclopropyl-N-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)acetamide
PubChem CID110356066
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name2-cyclopropyl-N-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)acetamide
SMILESCOc1ccc(NC(=O)C(c2ccc(F)cc2)C2CC2)cc1OC
InChIInChI=1S/C19H20FNO3/c1-23-16-10-9-15(11-17(16)24-2)21-19(22)18(12-3-4-12)13-5-7-14(20)8-6-13/h5-12,18H,3-4H2,1-2H3,(H,21,22)
InChIKeyITMFZRXWZIUCEC-UHFFFAOYSA-N
XLogP3.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-N,3-bis(3,4-dimethoxyphenyl)propanamide
CID 110423126
2-cyclopropyl-2-(4-fluorophenyl)-N-propan-2-ylacetamide
CID 110355345
[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8935769
2-bromo-N-(3,4-dimethoxyphenyl)propanamide
CID 25219542
(2S)-2-(2-bromo-4-fluorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8728755
[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 8574804
1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108907908
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)oxamide
CID 108510021
2-cyclopropyl-2-(4-fluorophenyl)-N-(4-methoxybutyl)acetamide
CID 110610202
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 51233943
N-[(2S)-1-(3,4-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 7043521
5-[1-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-4-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46376472

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of 2-cyclopropyl-N-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)acetamide (CID 110356066) is 2-cyclopropyl-N-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-cyclopropyl-N-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-cyclopropyl-N-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)acetamide is COc1ccc(NC(=O)C(c2ccc(F)cc2)C2CC2)cc1OC.
What is the InChIKey of 2-cyclopropyl-N-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)acetamide?
The InChIKey is ITMFZRXWZIUCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-23-16-10-9-15(11-17(16)24-2)21-19(22)18(12-3-4-12)13-5-7-14(20)8-6-13/h5-12,18H,3-4H2,1-2H3,(H,21,22).
What are the key properties of 2-cyclopropyl-N-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)acetamide?
2-cyclopropyl-N-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)acetamide has a molecular weight of 329.37 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 110356066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).