N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methylpropanamide

C18H20FNO3 — CID 48846730

IUPACN-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)Cc2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C18H20FNO3/c1-12(10-13-4-6-14(19)7-5-13)18(21)20-16-9-8-15(22-2)11-17(16)23-3/h4-9,11-12H,10H2,1-3H3,(H,20,21)
InChIKeyCDTRNSKBAIOVTJ-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.66
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methylpropanamide

N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methylpropanamide (PubChem CID 48846730) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methylpropanamide
PubChem CID48846730
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)Cc2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C18H20FNO3/c1-12(10-13-4-6-14(19)7-5-13)18(21)20-16-9-8-15(22-2)11-17(16)23-3/h4-9,11-12H,10H2,1-3H3,(H,20,21)
InChIKeyCDTRNSKBAIOVTJ-UHFFFAOYSA-N
XLogP3.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195727
(2R)-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenoxy)butanamide
CID 99956520
N-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 43871247
N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide
CID 27844760
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 22691240
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpropanamide
CID 97038174
N-(2,4-dimethoxyphenyl)-2-(4-fluorophenyl)-2-pyridin-2-ylacetamide
CID 110373578
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-4-methylpentanamide
CID 22691067
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide
CID 22690883
1-(2,4-dimethoxyphenyl)-3-[1-(4-fluorophenyl)ethyl]thiourea
CID 133215327
(2R)-N-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38900928

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methylpropanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methylpropanamide (CID 48846730) is N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methylpropanamide is COc1ccc(NC(=O)C(C)Cc2ccc(F)cc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methylpropanamide?
The InChIKey is CDTRNSKBAIOVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-12(10-13-4-6-14(19)7-5-13)18(21)20-16-9-8-15(22-2)11-17(16)23-3/h4-9,11-12H,10H2,1-3H3,(H,20,21).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methylpropanamide?
N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methylpropanamide has a molecular weight of 317.36 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 48846730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).