2-(2,6-dichlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide

C19H22Cl2N2O2 — CID 8796116

IUPAC2-(2,6-dichlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc([C@@H](CNC(=O)Cc2c(Cl)cccc2Cl)N(C)C)c1
InChIInChI=1S/C19H22Cl2N2O2/c1-23(2)18(13-6-4-7-14(10-13)25-3)12-22-19(24)11-15-16(20)8-5-9-17(15)21/h4-10,18H,11-12H2,1-3H3,(H,22,24)/t18-/m1/s1
InChIKeyNPZACUMEEUMGMH-GOSISDBHSA-N
MW381.30 g/mol
LogP3.96
Rot. Bonds7

About 2-(2,6-dichlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide

2-(2,6-dichlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 8796116) has the molecular formula C19H22Cl2N2O2 and a molecular weight of 381.30 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
PubChem CID8796116
Molecular FormulaC19H22Cl2N2O2
Molecular Weight381.30 g/mol
Exact Mass380.11
IUPAC Name2-(2,6-dichlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc([C@@H](CNC(=O)Cc2c(Cl)cccc2Cl)N(C)C)c1
InChIInChI=1S/C19H22Cl2N2O2/c1-23(2)18(13-6-4-7-14(10-13)25-3)12-22-19(24)11-15-16(20)8-5-9-17(15)21/h4-10,18H,11-12H2,1-3H3,(H,22,24)/t18-/m1/s1
InChIKeyNPZACUMEEUMGMH-GOSISDBHSA-N
XLogP3.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 45001535
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
2-[2-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 94014886
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 51186682
2-[4-(difluoromethoxy)phenyl]-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 51251248
2-(2-chloro-6-fluorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
CID 51179425
methyl 6-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-6-oxohexanoate
CID 99788340
4-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide
CID 24710565
1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 24528863
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 46429632
2-cyclopentyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 51186688
(2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 54991399

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide (CID 8796116) is 2-(2,6-dichlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide is COc1cccc([C@@H](CNC(=O)Cc2c(Cl)cccc2Cl)N(C)C)c1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is NPZACUMEEUMGMH-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22Cl2N2O2/c1-23(2)18(13-6-4-7-14(10-13)25-3)12-22-19(24)11-15-16(20)8-5-9-17(15)21/h4-10,18H,11-12H2,1-3H3,(H,22,24)/t18-/m1/s1.
What are the key properties of 2-(2,6-dichlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide?
2-(2,6-dichlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 381.30 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 8796116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).