N-(2-bromophenyl)-2-(4-methoxyanilino)acetamide

C15H15BrN2O2 — CID 28585942

IUPACN-(2-bromophenyl)-2-(4-methoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C15H15BrN2O2/c1-20-12-8-6-11(7-9-12)17-10-15(19)18-14-5-3-2-4-13(14)16/h2-9,17H,10H2,1H3,(H,18,19)
InChIKeyUNKKYMRPYLYTGT-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.51
Rot. Bonds5

About N-(2-bromophenyl)-2-(4-methoxyanilino)acetamide

N-(2-bromophenyl)-2-(4-methoxyanilino)acetamide (PubChem CID 28585942) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(4-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(4-methoxyanilino)acetamide
PubChem CID28585942
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC NameN-(2-bromophenyl)-2-(4-methoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C15H15BrN2O2/c1-20-12-8-6-11(7-9-12)17-10-15(19)18-14-5-3-2-4-13(14)16/h2-9,17H,10H2,1H3,(H,18,19)
InChIKeyUNKKYMRPYLYTGT-UHFFFAOYSA-N
XLogP3.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.51
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

N-(2-bromo-4-methylphenyl)-2-(4-methoxyanilino)acetamide
CID 109009113
N-(2-bromophenyl)-2-(4-tert-butylanilino)acetamide
CID 109008293
N-(2-bromophenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009599
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
2-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009101
1-(2-bromophenyl)-3-(4-methoxyphenyl)urea
CID 17267979
N-[4-[[2-(2-bromoanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54830564
2-(2,6-dibromoanilino)-N-(4-methoxyphenyl)acetamide
CID 107598910
N-(2-bromophenyl)-2-(4-nitroanilino)acetamide
CID 4780880
methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzoate
CID 37472062
2-anilino-N-(3-bromo-2-methylphenyl)acetamide
CID 50874354
2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide
CID 9099464

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(4-methoxyanilino)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(4-methoxyanilino)acetamide (CID 28585942) is N-(2-bromophenyl)-2-(4-methoxyanilino)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(4-methoxyanilino)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(4-methoxyanilino)acetamide is COc1ccc(NCC(=O)Nc2ccccc2Br)cc1.
What is the InChIKey of N-(2-bromophenyl)-2-(4-methoxyanilino)acetamide?
The InChIKey is UNKKYMRPYLYTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-20-12-8-6-11(7-9-12)17-10-15(19)18-14-5-3-2-4-13(14)16/h2-9,17H,10H2,1H3,(H,18,19).
What are the key properties of N-(2-bromophenyl)-2-(4-methoxyanilino)acetamide?
N-(2-bromophenyl)-2-(4-methoxyanilino)acetamide has a molecular weight of 335.20 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(4-methoxyanilino)acetamide is sourced from PubChem (CID 28585942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).