2-[[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide

C20H23ClFN3O2 — CID 9197047

IUPAC2-[[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CN(C)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C20H23ClFN3O2/c1-14-7-9-15(10-8-14)23-19(26)12-25(3)20(27)13-24(2)11-16-17(21)5-4-6-18(16)22/h4-10H,11-13H2,1-3H3,(H,23,26)
InChIKeyKQOREVOHQGWRIS-UHFFFAOYSA-N
MW391.87 g/mol
LogP3.32
Rot. Bonds7

About 2-[[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide

2-[[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 9197047) has the molecular formula C20H23ClFN3O2 and a molecular weight of 391.87 g/mol. Its IUPAC name is 2-[[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID9197047
Molecular FormulaC20H23ClFN3O2
Molecular Weight391.87 g/mol
Exact Mass391.15
IUPAC Name2-[[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CN(C)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C20H23ClFN3O2/c1-14-7-9-15(10-8-14)23-19(26)12-25(3)20(27)13-24(2)11-16-17(21)5-4-6-18(16)22/h4-10H,11-13H2,1-3H3,(H,23,26)
InChIKeyKQOREVOHQGWRIS-UHFFFAOYSA-N
XLogP3.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.87
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 2699425
N-(3-acetamidophenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide
CID 32517503
2-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)acetamide
CID 2112014
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 29359193
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2657966
2-(2-chloro-6-fluorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 7719443
2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetyl]amino]-N-(4-methylphenyl)acetamide
CID 9028197
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methyl-2-nitrophenyl)acetamide
CID 16959753
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-chloro-2-pyridinyl)acetamide
CID 18087925
2-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 31181878
2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 17449089

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide (CID 9197047) is 2-[[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)C(=O)CN(C)Cc2c(F)cccc2Cl)cc1.
What is the InChIKey of 2-[[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is KQOREVOHQGWRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN3O2/c1-14-7-9-15(10-8-14)23-19(26)12-25(3)20(27)13-24(2)11-16-17(21)5-4-6-18(16)22/h4-10H,11-13H2,1-3H3,(H,23,26).
What are the key properties of 2-[[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide?
2-[[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 391.87 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 9197047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).