N-(2,6-dibromo-4-methylphenyl)-2-(propan-2-ylamino)acetamide

C12H16Br2N2O — CID 54917894

IUPACN-(2,6-dibromo-4-methylphenyl)-2-(propan-2-ylamino)acetamide
SMILESCc1cc(Br)c(NC(=O)CNC(C)C)c(Br)c1
InChIInChI=1S/C12H16Br2N2O/c1-7(2)15-6-11(17)16-12-9(13)4-8(3)5-10(12)14/h4-5,7,15H,6H2,1-3H3,(H,16,17)
InChIKeySBTXPLAKBBZVLQ-UHFFFAOYSA-N
MW364.08 g/mol
LogP3.46
Rot. Bonds4

About N-(2,6-dibromo-4-methylphenyl)-2-(propan-2-ylamino)acetamide

N-(2,6-dibromo-4-methylphenyl)-2-(propan-2-ylamino)acetamide (PubChem CID 54917894) has the molecular formula C12H16Br2N2O and a molecular weight of 364.08 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)-2-(propan-2-ylamino)acetamide
PubChem CID54917894
Molecular FormulaC12H16Br2N2O
Molecular Weight364.08 g/mol
Exact Mass361.96
IUPAC NameN-(2,6-dibromo-4-methylphenyl)-2-(propan-2-ylamino)acetamide
SMILESCc1cc(Br)c(NC(=O)CNC(C)C)c(Br)c1
InChIInChI=1S/C12H16Br2N2O/c1-7(2)15-6-11(17)16-12-9(13)4-8(3)5-10(12)14/h4-5,7,15H,6H2,1-3H3,(H,16,17)
InChIKeySBTXPLAKBBZVLQ-UHFFFAOYSA-N
XLogP3.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.08
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2,6-dibromo-4-methylphenyl)propanamide
CID 115571577
N-(2,6-dibromo-4-methylphenyl)-2-(propylamino)acetamide
CID 60648396
3-(propan-2-ylamino)-N-(2,4,6-tribromophenyl)propanamide
CID 60854870
2-(butan-2-ylamino)-N-(2,6-dibromo-4-chlorophenyl)acetamide
CID 114209116
2-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 43237504
N-(2,5-dibromophenyl)-2-(propan-2-ylamino)acetamide
CID 60842016
3-bromo-2-[[2-(propan-2-ylamino)acetyl]amino]benzoic acid
CID 63113163
6-(2,6-dibromo-4-methylanilino)-6-oxohexanoic acid
CID 54867481
N-(2,3,4,5,6-pentafluorophenyl)-2-(propan-2-ylamino)acetamide
CID 78907367
N-(2,6-dibromo-4-methylphenyl)-2,2-dimethylpropanamide
CID 60629516
N-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 107625152
(2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide
CID 28991563

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-(propan-2-ylamino)acetamide (CID 54917894) is N-(2,6-dibromo-4-methylphenyl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)-2-(propan-2-ylamino)acetamide is Cc1cc(Br)c(NC(=O)CNC(C)C)c(Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)-2-(propan-2-ylamino)acetamide?
The InChIKey is SBTXPLAKBBZVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O/c1-7(2)15-6-11(17)16-12-9(13)4-8(3)5-10(12)14/h4-5,7,15H,6H2,1-3H3,(H,16,17).
What are the key properties of N-(2,6-dibromo-4-methylphenyl)-2-(propan-2-ylamino)acetamide?
N-(2,6-dibromo-4-methylphenyl)-2-(propan-2-ylamino)acetamide has a molecular weight of 364.08 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 54917894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).