(2R)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide

C24H25FN2O3 — CID 2689336

IUPAC(2R)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide
SMILESCOc1ccc(CN(C)[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c(OC)c1
InChIInChI=1S/C24H25FN2O3/c1-27(16-18-9-14-21(29-2)15-22(18)30-3)23(17-7-5-4-6-8-17)24(28)26-20-12-10-19(25)11-13-20/h4-15,23H,16H2,1-3H3,(H,26,28)/t23-/m1/s1
InChIKeyWWXSABJFLFEYMK-HSZRJFAPSA-N
MW408.47 g/mol
LogP4.65
Rot. Bonds8

About (2R)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide

(2R)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide (PubChem CID 2689336) has the molecular formula C24H25FN2O3 and a molecular weight of 408.47 g/mol. Its IUPAC name is (2R)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide
PubChem CID2689336
Molecular FormulaC24H25FN2O3
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC Name(2R)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide
SMILESCOc1ccc(CN(C)[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c(OC)c1
InChIInChI=1S/C24H25FN2O3/c1-27(16-18-9-14-21(29-2)15-22(18)30-3)23(17-7-5-4-6-8-17)24(28)26-20-12-10-19(25)11-13-20/h4-15,23H,16H2,1-3H3,(H,26,28)/t23-/m1/s1
InChIKeyWWXSABJFLFEYMK-HSZRJFAPSA-N
XLogP4.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 2109219
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide
CID 18112685
N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(3,5-dimethoxyphenyl)prop-2-ynamide
CID 3216704
N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(3,5-dimethoxyphenyl)prop-2-ynamide
CID 3216713
N-[4-[4-[2-(diethylamino)-1-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]-3-fluorophenyl]-2-ethylbutanamide
CID 58870814
N-(3,5-dimethoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 803154
2,6-dimethoxy-N-[2-(piperidin-1-yl)phenyl]benzamide
CID 954603
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)propanamide
CID 2540607
N~2~-acetyl-N-{1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)amino]-2-oxoethyl}-N-methylglycinamide
CID 3240130
N-(3,5-dimethoxyphenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 3918849
N-(3-methoxyphenyl)-2-phenyl-2-(prop-2-enylamino)acetamide
CID 4013751
4-(2,4-dimethoxybenzoyl)-7-methyl-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
CID 4074724

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide (CID 2689336) is (2R)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide is COc1ccc(CN(C)[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c(OC)c1.
What is the InChIKey of (2R)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide?
The InChIKey is WWXSABJFLFEYMK-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H25FN2O3/c1-27(16-18-9-14-21(29-2)15-22(18)30-3)23(17-7-5-4-6-8-17)24(28)26-20-12-10-19(25)11-13-20/h4-15,23H,16H2,1-3H3,(H,26,28)/t23-/m1/s1.
What are the key properties of (2R)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide?
(2R)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide has a molecular weight of 408.47 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide is sourced from PubChem (CID 2689336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).