(2R)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-ethyl-N-phenylpropanamide

C20H24ClN3O2 — CID 8842834

IUPAC(2R)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)[C@@H](C)N(C)CC(=O)Nc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C20H24ClN3O2/c1-4-24(16-10-6-5-7-11-16)20(26)15(2)23(3)14-19(25)22-18-13-9-8-12-17(18)21/h5-13,15H,4,14H2,1-3H3,(H,22,25)/t15-/m1/s1
InChIKeyRHADJMBHYNKJOS-OAHLLOKOSA-N
MW373.88 g/mol
LogP3.65
Rot. Bonds7

About (2R)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-ethyl-N-phenylpropanamide

(2R)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-ethyl-N-phenylpropanamide (PubChem CID 8842834) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is (2R)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-ethyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-ethyl-N-phenylpropanamide
PubChem CID8842834
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name(2R)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)[C@@H](C)N(C)CC(=O)Nc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C20H24ClN3O2/c1-4-24(16-10-6-5-7-11-16)20(26)15(2)23(3)14-19(25)22-18-13-9-8-12-17(18)21/h5-13,15H,4,14H2,1-3H3,(H,22,25)/t15-/m1/s1
InChIKeyRHADJMBHYNKJOS-OAHLLOKOSA-N
XLogP3.65
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-benzhydryl-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 27220919
(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethyl-N-phenylpropanamide
CID 8799927
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-cyclopropylpropanamide
CID 18196276
2-[butyl(methyl)amino]-N-ethyl-N-phenylpropanamide
CID 78821968
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide
CID 46561666
3-[[2-(2-chloroanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62852075
N-[2-(2-chloroanilino)-2-oxoethyl]-2-(diethylamino)-N-methyl-2-phenylacetamide
CID 56538645
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methylphenyl)propanamide
CID 46561720
2-[N-acetyl-4-(dimethylamino)anilino]-N-(2-chlorophenyl)acetamide
CID 113176752
(2R)-N-(3-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 9037867
N-(2-chlorophenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953174
2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 55439456

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-ethyl-N-phenylpropanamide?
The IUPAC name of (2R)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-ethyl-N-phenylpropanamide (CID 8842834) is (2R)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-ethyl-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-ethyl-N-phenylpropanamide?
The canonical SMILES for (2R)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-ethyl-N-phenylpropanamide is CCN(C(=O)[C@@H](C)N(C)CC(=O)Nc1ccccc1Cl)c1ccccc1.
What is the InChIKey of (2R)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-ethyl-N-phenylpropanamide?
The InChIKey is RHADJMBHYNKJOS-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-4-24(16-10-6-5-7-11-16)20(26)15(2)23(3)14-19(25)22-18-13-9-8-12-17(18)21/h5-13,15H,4,14H2,1-3H3,(H,22,25)/t15-/m1/s1.
What are the key properties of (2R)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-ethyl-N-phenylpropanamide?
(2R)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-ethyl-N-phenylpropanamide has a molecular weight of 373.88 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-ethyl-N-phenylpropanamide is sourced from PubChem (CID 8842834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).