(2R)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide

C22H28FN3O2 — CID 8710042

IUPAC(2R)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
SMILESCc1cccc(NC(=O)CN(C)[C@H](C)C(=O)N(C)Cc2cccc(F)c2)c1C
InChIInChI=1S/C22H28FN3O2/c1-15-8-6-11-20(16(15)2)24-21(27)14-25(4)17(3)22(28)26(5)13-18-9-7-10-19(23)12-18/h6-12,17H,13-14H2,1-5H3,(H,24,27)/t17-/m1/s1
InChIKeyVUDWOCSBCKUOJL-QGZVFWFLSA-N
MW385.48 g/mol
LogP3.36
Rot. Bonds7

About (2R)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide

(2R)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide (PubChem CID 8710042) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is (2R)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
PubChem CID8710042
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC Name(2R)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
SMILESCc1cccc(NC(=O)CN(C)[C@H](C)C(=O)N(C)Cc2cccc(F)c2)c1C
InChIInChI=1S/C22H28FN3O2/c1-15-8-6-11-20(16(15)2)24-21(27)14-25(4)17(3)22(28)26(5)13-18-9-7-10-19(23)12-18/h6-12,17H,13-14H2,1-5H3,(H,24,27)/t17-/m1/s1
InChIKeyVUDWOCSBCKUOJL-QGZVFWFLSA-N
XLogP3.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide with MolForge

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Related Compounds

N-[(3-fluorophenyl)methyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 46561832
(2R)-N-benzyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide
CID 9287521
2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 60516816
3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119911679
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 8791449
3-(3-chloro-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86986587
2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119268362
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287667
N-(2,5-dichlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
CID 42911629
2-(3-fluorophenyl)-N-(3-hydroxy-2-methylphenyl)acetamide
CID 64793447
N'-benzyl-N-(2,3-dimethylphenyl)-N'-methylpropanediamide
CID 108946105

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of (2R)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide (CID 8710042) is (2R)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide is Cc1cccc(NC(=O)CN(C)[C@H](C)C(=O)N(C)Cc2cccc(F)c2)c1C.
What is the InChIKey of (2R)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
The InChIKey is VUDWOCSBCKUOJL-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-15-8-6-11-20(16(15)2)24-21(27)14-25(4)17(3)22(28)26(5)13-18-9-7-10-19(23)12-18/h6-12,17H,13-14H2,1-5H3,(H,24,27)/t17-/m1/s1.
What are the key properties of (2R)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
(2R)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide has a molecular weight of 385.48 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 8710042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).