2-[[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

C21H22F3N3O2 — CID 9118016

IUPAC2-[[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C21H22F3N3O2/c1-27(17-8-4-6-13-5-2-3-7-14(13)17)12-19(29)25-11-18(28)26-16-10-9-15(22)20(23)21(16)24/h2-3,5,7,9-10,17H,4,6,8,11-12H2,1H3,(H,25,29)(H,26,28)/t17-/m1/s1
InChIKeyHCVGNTXMOZHHAD-QGZVFWFLSA-N
MW405.42 g/mol
LogP3.17
Rot. Bonds6

About 2-[[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 9118016) has the molecular formula C21H22F3N3O2 and a molecular weight of 405.42 g/mol. Its IUPAC name is 2-[[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID9118016
Molecular FormulaC21H22F3N3O2
Molecular Weight405.42 g/mol
Exact Mass405.17
IUPAC Name2-[[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C21H22F3N3O2/c1-27(17-8-4-6-13-5-2-3-7-14(13)17)12-19(29)25-11-18(28)26-16-10-9-15(22)20(23)21(16)24/h2-3,5,7,9-10,17H,4,6,8,11-12H2,1H3,(H,25,29)(H,26,28)/t17-/m1/s1
InChIKeyHCVGNTXMOZHHAD-QGZVFWFLSA-N
XLogP3.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]acetamide
CID 8681103
N-(2-acetylphenyl)-2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetamide
CID 43025249
N-(2,6-dimethylphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260596
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9261077
2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9034646
N-(4-acetamidophenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9261093
N,N-dimethyl-4-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]benzamide
CID 9260477
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(phenylcarbamoyl)acetamide
CID 8680982
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-ethylacetamide
CID 134043159
N-(2,5-dimethoxyphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260607
N-(cyclopropylcarbamoyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260523

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 9118016) is 2-[[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is CN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[C@@H]1CCCc2ccccc21.
What is the InChIKey of 2-[[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is HCVGNTXMOZHHAD-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22F3N3O2/c1-27(17-8-4-6-13-5-2-3-7-14(13)17)12-19(29)25-11-18(28)26-16-10-9-15(22)20(23)21(16)24/h2-3,5,7,9-10,17H,4,6,8,11-12H2,1H3,(H,25,29)(H,26,28)/t17-/m1/s1.
What are the key properties of 2-[[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 405.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 9118016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).