N-(3-bromophenyl)-2-(2-chloro-4,6-dimethylanilino)acetamide

C16H16BrClN2O — CID 109008766

IUPACN-(3-bromophenyl)-2-(2-chloro-4,6-dimethylanilino)acetamide
SMILESCc1cc(C)c(NCC(=O)Nc2cccc(Br)c2)c(Cl)c1
InChIInChI=1S/C16H16BrClN2O/c1-10-6-11(2)16(14(18)7-10)19-9-15(21)20-13-5-3-4-12(17)8-13/h3-8,19H,9H2,1-2H3,(H,20,21)
InChIKeySTSFBNXEFCIMCW-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.77
Rot. Bonds4

About N-(3-bromophenyl)-2-(2-chloro-4,6-dimethylanilino)acetamide

N-(3-bromophenyl)-2-(2-chloro-4,6-dimethylanilino)acetamide (PubChem CID 109008766) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(2-chloro-4,6-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(2-chloro-4,6-dimethylanilino)acetamide
PubChem CID109008766
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC NameN-(3-bromophenyl)-2-(2-chloro-4,6-dimethylanilino)acetamide
SMILESCc1cc(C)c(NCC(=O)Nc2cccc(Br)c2)c(Cl)c1
InChIInChI=1S/C16H16BrClN2O/c1-10-6-11(2)16(14(18)7-10)19-9-15(21)20-13-5-3-4-12(17)8-13/h3-8,19H,9H2,1-2H3,(H,20,21)
InChIKeySTSFBNXEFCIMCW-UHFFFAOYSA-N
XLogP4.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4,6-dimethylanilino)-N-(3-fluorophenyl)acetamide
CID 42125202
N-(3-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
CID 109038923
N-(3-bromophenyl)-2-(2,4,6-tribromoanilino)acetamide
CID 43126391
N-(3-bromophenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 28515380
N-(2-chloro-4,6-dimethylphenyl)-2-(2,6-difluoroanilino)acetamide
CID 109008818
2-(3-bromo-5-methylanilino)-N-(3-chlorophenyl)acetamide
CID 107583061
N-(3-bromophenyl)-N'-(3-chloro-4-methylphenyl)propanediamide
CID 108955273
2-(2-chloro-4,6-dimethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 42125199
2-(3-bromoanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9080359
2-(4-bromoanilino)-N-(3-bromophenyl)acetamide
CID 7492464
2-(2-chloro-4,6-dimethylanilino)-N-(2-fluorophenyl)acetamide
CID 42125159
1-(2-chloro-4,6-dimethylphenyl)-3-(3-methylphenyl)urea
CID 108888004

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(2-chloro-4,6-dimethylanilino)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(2-chloro-4,6-dimethylanilino)acetamide (CID 109008766) is N-(3-bromophenyl)-2-(2-chloro-4,6-dimethylanilino)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(2-chloro-4,6-dimethylanilino)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(2-chloro-4,6-dimethylanilino)acetamide is Cc1cc(C)c(NCC(=O)Nc2cccc(Br)c2)c(Cl)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(2-chloro-4,6-dimethylanilino)acetamide?
The InChIKey is STSFBNXEFCIMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c1-10-6-11(2)16(14(18)7-10)19-9-15(21)20-13-5-3-4-12(17)8-13/h3-8,19H,9H2,1-2H3,(H,20,21).
What are the key properties of N-(3-bromophenyl)-2-(2-chloro-4,6-dimethylanilino)acetamide?
N-(3-bromophenyl)-2-(2-chloro-4,6-dimethylanilino)acetamide has a molecular weight of 367.67 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(2-chloro-4,6-dimethylanilino)acetamide is sourced from PubChem (CID 109008766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).