(2S)-N-benzyl-2-(2,4-dichlorophenyl)-N-methyl-2-morpholin-4-ylacetamide

C20H22Cl2N2O2 — CID 95781081

IUPAC(2S)-N-benzyl-2-(2,4-dichlorophenyl)-N-methyl-2-morpholin-4-ylacetamide
SMILESCN(Cc1ccccc1)C(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C20H22Cl2N2O2/c1-23(14-15-5-3-2-4-6-15)20(25)19(24-9-11-26-12-10-24)17-8-7-16(21)13-18(17)22/h2-8,13,19H,9-12,14H2,1H3/t19-/m0/s1
InChIKeyPCXWKROFBSGDJQ-IBGZPJMESA-N
MW393.31 g/mol
LogP4.03
Rot. Bonds5

About (2S)-N-benzyl-2-(2,4-dichlorophenyl)-N-methyl-2-morpholin-4-ylacetamide

(2S)-N-benzyl-2-(2,4-dichlorophenyl)-N-methyl-2-morpholin-4-ylacetamide (PubChem CID 95781081) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is (2S)-N-benzyl-2-(2,4-dichlorophenyl)-N-methyl-2-morpholin-4-ylacetamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-(2,4-dichlorophenyl)-N-methyl-2-morpholin-4-ylacetamide
PubChem CID95781081
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name(2S)-N-benzyl-2-(2,4-dichlorophenyl)-N-methyl-2-morpholin-4-ylacetamide
SMILESCN(Cc1ccccc1)C(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C20H22Cl2N2O2/c1-23(14-15-5-3-2-4-6-15)20(25)19(24-9-11-26-12-10-24)17-8-7-16(21)13-18(17)22/h2-8,13,19H,9-12,14H2,1H3/t19-/m0/s1
InChIKeyPCXWKROFBSGDJQ-IBGZPJMESA-N
XLogP4.03
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-morpholin-4-yl-N-(2-phenylacetyl)acetamide
CID 3901190
4-[[2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetyl]amino]butanoic acid
CID 119352757
3-(2,4-dichlorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64527920
(2S)-N-[3-(carbamoylamino)phenyl]-2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 97217806
(2S)-2-(2,4-dichlorophenyl)-N-[(1R,2R)-2-methylcyclohexyl]-2-morpholin-4-ylacetamide
CID 100899496
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 56515754
(2R)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetic acid
CID 93297834
N-benzyl-2-(4-chlorophenyl)-2-cyclopropyl-N-methylacetamide
CID 110301089
N-benzyl-3-(2,4-dichlorophenyl)-N-methyl-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
CID 3963036
2,4-dichloro-N-(2-morpholin-4-yl-2-phenylethyl)benzamide
CID 46578639
N-benzyl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 9336448
2-(2,4-dichlorophenyl)-2-morpholin-4-yl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
CID 75373916

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-(2,4-dichlorophenyl)-N-methyl-2-morpholin-4-ylacetamide?
The IUPAC name of (2S)-N-benzyl-2-(2,4-dichlorophenyl)-N-methyl-2-morpholin-4-ylacetamide (CID 95781081) is (2S)-N-benzyl-2-(2,4-dichlorophenyl)-N-methyl-2-morpholin-4-ylacetamide.
What is the SMILES notation for (2S)-N-benzyl-2-(2,4-dichlorophenyl)-N-methyl-2-morpholin-4-ylacetamide?
The canonical SMILES for (2S)-N-benzyl-2-(2,4-dichlorophenyl)-N-methyl-2-morpholin-4-ylacetamide is CN(Cc1ccccc1)C(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1.
What is the InChIKey of (2S)-N-benzyl-2-(2,4-dichlorophenyl)-N-methyl-2-morpholin-4-ylacetamide?
The InChIKey is PCXWKROFBSGDJQ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-23(14-15-5-3-2-4-6-15)20(25)19(24-9-11-26-12-10-24)17-8-7-16(21)13-18(17)22/h2-8,13,19H,9-12,14H2,1H3/t19-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-(2,4-dichlorophenyl)-N-methyl-2-morpholin-4-ylacetamide?
(2S)-N-benzyl-2-(2,4-dichlorophenyl)-N-methyl-2-morpholin-4-ylacetamide has a molecular weight of 393.31 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-(2,4-dichlorophenyl)-N-methyl-2-morpholin-4-ylacetamide is sourced from PubChem (CID 95781081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).