N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide

C20H23ClN2O2 — CID 9261077

IUPACN-(5-chloro-2-methoxyphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)[C@H]1CCCc2ccccc21
InChIInChI=1S/C20H23ClN2O2/c1-23(18-9-5-7-14-6-3-4-8-16(14)18)13-20(24)22-17-12-15(21)10-11-19(17)25-2/h3-4,6,8,10-12,18H,5,7,9,13H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyIWLUQQRZIWIGCW-SFHVURJKSA-N
MW358.87 g/mol
LogP4.30
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide (PubChem CID 9261077) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
PubChem CID9261077
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)[C@H]1CCCc2ccccc21
InChIInChI=1S/C20H23ClN2O2/c1-23(18-9-5-7-14-6-3-4-8-16(14)18)13-20(24)22-17-12-15(21)10-11-19(17)25-2/h3-4,6,8,10-12,18H,5,7,9,13H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyIWLUQQRZIWIGCW-SFHVURJKSA-N
XLogP4.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260607
N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260681
N-(2-chlorophenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260612
N-(2,5-dimethylphenyl)-2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetamide
CID 46807738
N-(2-acetylphenyl)-2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetamide
CID 43025249
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 9222495
N-(4-acetamidophenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9261093
N-(5-chloro-2-methoxyphenyl)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 8001433
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 55534143
N-(2,6-dimethylphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260596
2-[[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9118016

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide (CID 9261077) is N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide is COc1ccc(Cl)cc1NC(=O)CN(C)[C@H]1CCCc2ccccc21.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide?
The InChIKey is IWLUQQRZIWIGCW-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-23(18-9-5-7-14-6-3-4-8-16(14)18)13-20(24)22-17-12-15(21)10-11-19(17)25-2/h3-4,6,8,10-12,18H,5,7,9,13H2,1-2H3,(H,22,24)/t18-/m0/s1.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide has a molecular weight of 358.87 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide is sourced from PubChem (CID 9261077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).