(2R)-N-(4-acetamidophenyl)-2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]propanamide

C20H23BrN4O3 — CID 2555298

IUPAC(2R)-N-(4-acetamidophenyl)-2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)N(C)CC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C20H23BrN4O3/c1-13(20(28)23-16-10-8-15(9-11-16)22-14(2)26)25(3)12-19(27)24-18-7-5-4-6-17(18)21/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,28)(H,24,27)/t13-/m1/s1
InChIKeyWCBODZYZPFVCEB-CYBMUJFWSA-N
MW447.33 g/mol
LogP3.31
Rot. Bonds7

About (2R)-N-(4-acetamidophenyl)-2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]propanamide

(2R)-N-(4-acetamidophenyl)-2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]propanamide (PubChem CID 2555298) has the molecular formula C20H23BrN4O3 and a molecular weight of 447.33 g/mol. Its IUPAC name is (2R)-N-(4-acetamidophenyl)-2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetamidophenyl)-2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]propanamide
PubChem CID2555298
Molecular FormulaC20H23BrN4O3
Molecular Weight447.33 g/mol
Exact Mass446.10
IUPAC Name(2R)-N-(4-acetamidophenyl)-2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)N(C)CC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C20H23BrN4O3/c1-13(20(28)23-16-10-8-15(9-11-16)22-14(2)26)25(3)12-19(27)24-18-7-5-4-6-17(18)21/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,28)(H,24,27)/t13-/m1/s1
InChIKeyWCBODZYZPFVCEB-CYBMUJFWSA-N
XLogP3.31
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.33
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
CID 4879334
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
N-(2-bromophenyl)-2-[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]acetamide
CID 97352788
2-acetamido-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpropanamide
CID 78772998
2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 86979725
N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 47097234
N-[4-[[2-(2-bromoanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54830564
(2R)-N-(4-bromophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 7993669
(2R)-N-(3-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 9037867
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 42911653
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-phenylmethoxyphenyl)propanamide
CID 46561691
(2S)-N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 9302580

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetamidophenyl)-2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]propanamide?
The IUPAC name of (2R)-N-(4-acetamidophenyl)-2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]propanamide (CID 2555298) is (2R)-N-(4-acetamidophenyl)-2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]propanamide.
What is the SMILES notation for (2R)-N-(4-acetamidophenyl)-2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]propanamide?
The canonical SMILES for (2R)-N-(4-acetamidophenyl)-2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]propanamide is CC(=O)Nc1ccc(NC(=O)[C@@H](C)N(C)CC(=O)Nc2ccccc2Br)cc1.
What is the InChIKey of (2R)-N-(4-acetamidophenyl)-2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]propanamide?
The InChIKey is WCBODZYZPFVCEB-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23BrN4O3/c1-13(20(28)23-16-10-8-15(9-11-16)22-14(2)26)25(3)12-19(27)24-18-7-5-4-6-17(18)21/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,28)(H,24,27)/t13-/m1/s1.
What are the key properties of (2R)-N-(4-acetamidophenyl)-2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]propanamide?
(2R)-N-(4-acetamidophenyl)-2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]propanamide has a molecular weight of 447.33 g/mol, XLogP of 3.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetamidophenyl)-2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]propanamide is sourced from PubChem (CID 2555298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).