2-[(3-chlorophenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C20H23ClN2O — CID 9251398

IUPAC2-[(3-chlorophenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCN(CC(=O)N[C@H]1CCCc2ccccc21)Cc1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O/c1-23(13-15-6-4-9-17(21)12-15)14-20(24)22-19-11-5-8-16-7-2-3-10-18(16)19/h2-4,6-7,9-10,12,19H,5,8,11,13-14H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyFKTACLPRKPKLSM-IBGZPJMESA-N
MW342.87 g/mol
LogP3.97
Rot. Bonds5

About 2-[(3-chlorophenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[(3-chlorophenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 9251398) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID9251398
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name2-[(3-chlorophenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCN(CC(=O)N[C@H]1CCCc2ccccc21)Cc1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O/c1-23(13-15-6-4-9-17(21)12-15)14-20(24)22-19-11-5-8-16-7-2-3-10-18(16)19/h2-4,6-7,9-10,12,19H,5,8,11,13-14H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyFKTACLPRKPKLSM-IBGZPJMESA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl(methyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8901359
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4881709
N-cyclopropyl-2-[methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]amino]acetamide
CID 9053146
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8712235
2-[methyl-[(2-methylphenyl)methyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2543063
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2541033
2-(3-chloro-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28984802
2-[benzyl(ethyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8541655
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9103538
2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55543140
2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8551194
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92675186

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 9251398) is 2-[(3-chlorophenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CN(CC(=O)N[C@H]1CCCc2ccccc21)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is FKTACLPRKPKLSM-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-23(13-15-6-4-9-17(21)12-15)14-20(24)22-19-11-5-8-16-7-2-3-10-18(16)19/h2-4,6-7,9-10,12,19H,5,8,11,13-14H2,1H3,(H,22,24)/t19-/m0/s1.
What are the key properties of 2-[(3-chlorophenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[(3-chlorophenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 342.87 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 9251398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).