N-(4-bromo-2-methylphenyl)-3-(2-methoxy-5-methylanilino)propanamide

C18H21BrN2O2 — CID 109040066

IUPACN-(4-bromo-2-methylphenyl)-3-(2-methoxy-5-methylanilino)propanamide
SMILESCOc1ccc(C)cc1NCCC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C18H21BrN2O2/c1-12-4-7-17(23-3)16(10-12)20-9-8-18(22)21-15-6-5-14(19)11-13(15)2/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22)
InChIKeyRDCHWCZKBQTNAX-UHFFFAOYSA-N
MW377.28 g/mol
LogP4.52
Rot. Bonds6

About N-(4-bromo-2-methylphenyl)-3-(2-methoxy-5-methylanilino)propanamide

N-(4-bromo-2-methylphenyl)-3-(2-methoxy-5-methylanilino)propanamide (PubChem CID 109040066) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-3-(2-methoxy-5-methylanilino)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-3-(2-methoxy-5-methylanilino)propanamide
PubChem CID109040066
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC NameN-(4-bromo-2-methylphenyl)-3-(2-methoxy-5-methylanilino)propanamide
SMILESCOc1ccc(C)cc1NCCC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C18H21BrN2O2/c1-12-4-7-17(23-3)16(10-12)20-9-8-18(22)21-15-6-5-14(19)11-13(15)2/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22)
InChIKeyRDCHWCZKBQTNAX-UHFFFAOYSA-N
XLogP4.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 108515633
N-(2-methoxy-5-methylphenyl)-3-(2-methylanilino)propanamide
CID 51159592
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
N-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47076752
N-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034471
2-(4-bromo-2-methylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1363313
3-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 47877564
N-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 109040075
N-(2-ethoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47882363
3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038531
N-(2-bromo-4-methylphenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109040499
2-(4-bromo-2-chloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 33169745

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-3-(2-methoxy-5-methylanilino)propanamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-3-(2-methoxy-5-methylanilino)propanamide (CID 109040066) is N-(4-bromo-2-methylphenyl)-3-(2-methoxy-5-methylanilino)propanamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-3-(2-methoxy-5-methylanilino)propanamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-3-(2-methoxy-5-methylanilino)propanamide is COc1ccc(C)cc1NCCC(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-3-(2-methoxy-5-methylanilino)propanamide?
The InChIKey is RDCHWCZKBQTNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-12-4-7-17(23-3)16(10-12)20-9-8-18(22)21-15-6-5-14(19)11-13(15)2/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22).
What are the key properties of N-(4-bromo-2-methylphenyl)-3-(2-methoxy-5-methylanilino)propanamide?
N-(4-bromo-2-methylphenyl)-3-(2-methoxy-5-methylanilino)propanamide has a molecular weight of 377.28 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-3-(2-methoxy-5-methylanilino)propanamide is sourced from PubChem (CID 109040066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).