2-(4-bromo-3,5-dimethylanilino)-N-phenylacetamide

C16H17BrN2O — CID 107573643

IUPAC2-(4-bromo-3,5-dimethylanilino)-N-phenylacetamide
SMILESCc1cc(NCC(=O)Nc2ccccc2)cc(C)c1Br
InChIInChI=1S/C16H17BrN2O/c1-11-8-14(9-12(2)16(11)17)18-10-15(20)19-13-6-4-3-5-7-13/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeySSNXVEBEARQLTA-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.12
Rot. Bonds4

About 2-(4-bromo-3,5-dimethylanilino)-N-phenylacetamide

2-(4-bromo-3,5-dimethylanilino)-N-phenylacetamide (PubChem CID 107573643) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylanilino)-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylanilino)-N-phenylacetamide
PubChem CID107573643
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name2-(4-bromo-3,5-dimethylanilino)-N-phenylacetamide
SMILESCc1cc(NCC(=O)Nc2ccccc2)cc(C)c1Br
InChIInChI=1S/C16H17BrN2O/c1-11-8-14(9-12(2)16(11)17)18-10-15(20)19-13-6-4-3-5-7-13/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeySSNXVEBEARQLTA-UHFFFAOYSA-N
XLogP4.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3,5-dimethylanilino)-N-(4-methylphenyl)acetamide
CID 107573574
2-(3,5-dimethylanilino)-N-phenylacetamide
CID 7636819
2-(3,5-dimethylanilino)-N-phenylacetamide;hydrochloride
CID 50988159
2-(4-bromo-3,5-dimethylanilino)acetic acid
CID 107573485
2-(2,6-dibromo-4-methylanilino)-N-phenylacetamide
CID 28887968
2-[(4-bromo-3,5-dimethylanilino)methyl]prop-2-enoic acid
CID 107575583
2-[2-[(4-bromo-3,5-dimethylanilino)methyl]phenyl]acetic acid
CID 107573710
2-(4-bromo-2,5-difluoroanilino)-N-phenylacetamide
CID 103843092
2-(3-iodoanilino)-N-phenylacetamide
CID 28829964
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]benzamide
CID 54813402
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
N-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide
CID 39450231

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylanilino)-N-phenylacetamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylanilino)-N-phenylacetamide (CID 107573643) is 2-(4-bromo-3,5-dimethylanilino)-N-phenylacetamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylanilino)-N-phenylacetamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylanilino)-N-phenylacetamide is Cc1cc(NCC(=O)Nc2ccccc2)cc(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylanilino)-N-phenylacetamide?
The InChIKey is SSNXVEBEARQLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11-8-14(9-12(2)16(11)17)18-10-15(20)19-13-6-4-3-5-7-13/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-bromo-3,5-dimethylanilino)-N-phenylacetamide?
2-(4-bromo-3,5-dimethylanilino)-N-phenylacetamide has a molecular weight of 333.23 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylanilino)-N-phenylacetamide is sourced from PubChem (CID 107573643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).