N-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide

C16H17BrN2O2 — CID 62871519

IUPACN-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C16H17BrN2O2/c1-11-9-14(21-2)7-8-15(11)18-10-16(20)19-13-5-3-12(17)4-6-13/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyOMIJLBZCYBTOEB-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.82
Rot. Bonds5

About N-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide

N-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide (PubChem CID 62871519) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide
PubChem CID62871519
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C16H17BrN2O2/c1-11-9-14(21-2)7-8-15(11)18-10-16(20)19-13-5-3-12(17)4-6-13/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyOMIJLBZCYBTOEB-UHFFFAOYSA-N
XLogP3.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxy-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 62872071
N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)propanediamide
CID 108955636
2-(2-benzoyl-4-bromoanilino)-N-(4-methoxyphenyl)acetamide
CID 4500110
N-ethyl-2-(4-methoxy-2-methylanilino)acetamide
CID 62871703
methyl 2-[3-methyl-4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenoxy]acetate
CID 60538938
2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide
CID 9099464
2-anilino-N-(4-methoxy-2-methylphenyl)acetamide
CID 62871353
N-(2-chlorophenyl)-2-(4-methoxy-2-methylanilino)acetamide
CID 62871342
N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)oxamide
CID 108502691
2-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)acetamide
CID 9081080
2-(4-chloro-2-methylanilino)-N-(3,5-dimethoxyphenyl)acetamide
CID 26507119
methyl 2-[4-[(2-anilino-2-oxoethyl)amino]-3-methylphenoxy]acetate
CID 60538614

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide (CID 62871519) is N-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide is COc1ccc(NCC(=O)Nc2ccc(Br)cc2)c(C)c1.
What is the InChIKey of N-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide?
The InChIKey is OMIJLBZCYBTOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11-9-14(21-2)7-8-15(11)18-10-16(20)19-13-5-3-12(17)4-6-13/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of N-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide?
N-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide has a molecular weight of 349.23 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide is sourced from PubChem (CID 62871519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).