(2R)-N-(4-bromophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide

C19H22BrN3O3 — CID 7993669

IUPAC(2R)-N-(4-bromophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCOc1ccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H22BrN3O3/c1-13(19(25)22-16-6-4-14(20)5-7-16)23(2)12-18(24)21-15-8-10-17(26-3)11-9-15/h4-11,13H,12H2,1-3H3,(H,21,24)(H,22,25)/t13-/m1/s1
InChIKeyQVSZZFXZLWLMOU-CYBMUJFWSA-N
MW420.31 g/mol
LogP3.36
Rot. Bonds7

About (2R)-N-(4-bromophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide

(2R)-N-(4-bromophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide (PubChem CID 7993669) has the molecular formula C19H22BrN3O3 and a molecular weight of 420.31 g/mol. Its IUPAC name is (2R)-N-(4-bromophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-bromophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
PubChem CID7993669
Molecular FormulaC19H22BrN3O3
Molecular Weight420.31 g/mol
Exact Mass419.08
IUPAC Name(2R)-N-(4-bromophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCOc1ccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H22BrN3O3/c1-13(19(25)22-16-6-4-14(20)5-7-16)23(2)12-18(24)21-15-8-10-17(26-3)11-9-15/h4-11,13H,12H2,1-3H3,(H,21,24)(H,22,25)/t13-/m1/s1
InChIKeyQVSZZFXZLWLMOU-CYBMUJFWSA-N
XLogP3.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 86979725
N-(4-tert-butylphenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 17438079
(2S)-N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 9302580
(2S)-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(3,5-dimethoxyphenyl)propanamide
CID 25387209
(2S)-N-(4-bromophenyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053206
2-[[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 40942275
2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2657324
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 111750353
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55370235
3-[[1-(4-methoxyanilino)-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride
CID 119911900
N-(cyclopentylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 46561956
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 9222589

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-bromophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide?
The IUPAC name of (2R)-N-(4-bromophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide (CID 7993669) is (2R)-N-(4-bromophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide.
What is the SMILES notation for (2R)-N-(4-bromophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide?
The canonical SMILES for (2R)-N-(4-bromophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide is COc1ccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of (2R)-N-(4-bromophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide?
The InChIKey is QVSZZFXZLWLMOU-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22BrN3O3/c1-13(19(25)22-16-6-4-14(20)5-7-16)23(2)12-18(24)21-15-8-10-17(26-3)11-9-15/h4-11,13H,12H2,1-3H3,(H,21,24)(H,22,25)/t13-/m1/s1.
What are the key properties of (2R)-N-(4-bromophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide?
(2R)-N-(4-bromophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide has a molecular weight of 420.31 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-bromophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide is sourced from PubChem (CID 7993669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).