(2R)-N-(3-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide

C20H22ClN3O3 — CID 9037867

IUPAC(2R)-N-(3-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)N(C)CC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C20H22ClN3O3/c1-13(20(27)22-16-8-6-7-15(11-16)14(2)25)24(3)12-19(26)23-18-10-5-4-9-17(18)21/h4-11,13H,12H2,1-3H3,(H,22,27)(H,23,26)/t13-/m1/s1
InChIKeyREQOMEVAFJVMLA-CYBMUJFWSA-N
MW387.87 g/mol
LogP3.44
Rot. Bonds7

About (2R)-N-(3-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide

(2R)-N-(3-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide (PubChem CID 9037867) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is (2R)-N-(3-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide
PubChem CID9037867
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name(2R)-N-(3-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)N(C)CC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C20H22ClN3O3/c1-13(20(27)22-16-8-6-7-15(11-16)14(2)25)24(3)12-19(26)23-18-10-5-4-9-17(18)21/h4-11,13H,12H2,1-3H3,(H,22,27)(H,23,26)/t13-/m1/s1
InChIKeyREQOMEVAFJVMLA-CYBMUJFWSA-N
XLogP3.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-acetylphenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 9286593
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methylphenyl)propanamide
CID 46561720
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide
CID 46561666
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-cyclopropylpropanamide
CID 18196276
(2S)-N-benzhydryl-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 27220919
N-(4-acetylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
CID 4879334
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-phenylmethoxyphenyl)propanamide
CID 46561691
(2R)-N-(3-acetylphenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]propanamide
CID 9197004
3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-methylbenzamide
CID 8843971
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-quinolin-5-ylpropanamide
CID 42890733
(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 2658720
N-(3-carbamothioylphenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43374980

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide?
The IUPAC name of (2R)-N-(3-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide (CID 9037867) is (2R)-N-(3-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide.
What is the SMILES notation for (2R)-N-(3-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide?
The canonical SMILES for (2R)-N-(3-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide is CC(=O)c1cccc(NC(=O)[C@@H](C)N(C)CC(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of (2R)-N-(3-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide?
The InChIKey is REQOMEVAFJVMLA-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-13(20(27)22-16-8-6-7-15(11-16)14(2)25)24(3)12-19(26)23-18-10-5-4-9-17(18)21/h4-11,13H,12H2,1-3H3,(H,22,27)(H,23,26)/t13-/m1/s1.
What are the key properties of (2R)-N-(3-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide?
(2R)-N-(3-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide has a molecular weight of 387.87 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide is sourced from PubChem (CID 9037867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).