5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide

C19H23ClN2O3 — CID 9267207

IUPAC5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
SMILESCOc1ccc([C@@H](CNC(=O)c2cc(Cl)ccc2OC)N(C)C)cc1
InChIInChI=1S/C19H23ClN2O3/c1-22(2)17(13-5-8-15(24-3)9-6-13)12-21-19(23)16-11-14(20)7-10-18(16)25-4/h5-11,17H,12H2,1-4H3,(H,21,23)/t17-/m1/s1
InChIKeyZFRWUIZVROTXKT-QGZVFWFLSA-N
MW362.86 g/mol
LogP3.39
Rot. Bonds7

About 5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide

5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide (PubChem CID 9267207) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
PubChem CID9267207
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
SMILESCOc1ccc([C@@H](CNC(=O)c2cc(Cl)ccc2OC)N(C)C)cc1
InChIInChI=1S/C19H23ClN2O3/c1-22(2)17(13-5-8-15(24-3)9-6-13)12-21-19(23)16-11-14(20)7-10-18(16)25-4/h5-11,17H,12H2,1-4H3,(H,21,23)/t17-/m1/s1
InChIKeyZFRWUIZVROTXKT-QGZVFWFLSA-N
XLogP3.39
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 3564631
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 2129227
5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide
CID 2532293
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 40901223
2,3-dichloro-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]benzamide
CID 4882899
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 43003305
5-chloro-2-methoxy-N-[2-(4-methoxy-N-methylanilino)ethyl]benzamide
CID 100530036
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide
CID 3951994
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide
CID 2121688
2-bromo-5-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 78849646
2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]propanoic acid
CID 69405879
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea
CID 43001414

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide (CID 9267207) is 5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide is COc1ccc([C@@H](CNC(=O)c2cc(Cl)ccc2OC)N(C)C)cc1.
What is the InChIKey of 5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide?
The InChIKey is ZFRWUIZVROTXKT-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-22(2)17(13-5-8-15(24-3)9-6-13)12-21-19(23)16-11-14(20)7-10-18(16)25-4/h5-11,17H,12H2,1-4H3,(H,21,23)/t17-/m1/s1.
What are the key properties of 5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide?
5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide has a molecular weight of 362.86 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 9267207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).