N-(2-bromo-4-methylphenyl)-2-(3,4-dimethoxyanilino)acetamide

C17H19BrN2O3 — CID 109009601

IUPACN-(2-bromo-4-methylphenyl)-2-(3,4-dimethoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(C)cc2Br)cc1OC
InChIInChI=1S/C17H19BrN2O3/c1-11-4-6-14(13(18)8-11)20-17(21)10-19-12-5-7-15(22-2)16(9-12)23-3/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyPPSWEYLPLWEBHN-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.83
Rot. Bonds6

About N-(2-bromo-4-methylphenyl)-2-(3,4-dimethoxyanilino)acetamide

N-(2-bromo-4-methylphenyl)-2-(3,4-dimethoxyanilino)acetamide (PubChem CID 109009601) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(3,4-dimethoxyanilino)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(3,4-dimethoxyanilino)acetamide
PubChem CID109009601
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(3,4-dimethoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(C)cc2Br)cc1OC
InChIInChI=1S/C17H19BrN2O3/c1-11-4-6-14(13(18)8-11)20-17(21)10-19-12-5-7-15(22-2)16(9-12)23-3/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyPPSWEYLPLWEBHN-UHFFFAOYSA-N
XLogP3.83
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-methylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109040606
N-(2-bromophenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009599
N-(2-bromo-4-methylphenyl)-2-(4-methoxyanilino)acetamide
CID 109009113
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylanilino)acetamide
CID 9081068
2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9099482
N-(2-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetamide
CID 9098661
2-(3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide
CID 9101796
2-(3-bromoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9080374
2-(3,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 9098774
N-(4-bromo-3-methylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 9099923
N-(5-acetamido-2-methoxyphenyl)-2-(3-methylanilino)acetamide
CID 51224557
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(3,4-dimethoxyanilino)acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(3,4-dimethoxyanilino)acetamide (CID 109009601) is N-(2-bromo-4-methylphenyl)-2-(3,4-dimethoxyanilino)acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(3,4-dimethoxyanilino)acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(3,4-dimethoxyanilino)acetamide is COc1ccc(NCC(=O)Nc2ccc(C)cc2Br)cc1OC.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(3,4-dimethoxyanilino)acetamide?
The InChIKey is PPSWEYLPLWEBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c1-11-4-6-14(13(18)8-11)20-17(21)10-19-12-5-7-15(22-2)16(9-12)23-3/h4-9,19H,10H2,1-3H3,(H,20,21).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(3,4-dimethoxyanilino)acetamide?
N-(2-bromo-4-methylphenyl)-2-(3,4-dimethoxyanilino)acetamide has a molecular weight of 379.25 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(3,4-dimethoxyanilino)acetamide is sourced from PubChem (CID 109009601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).