2-(2-bromo-4,6-dimethylanilino)-N-carbamoylacetamide

C11H14BrN3O2 — CID 81496528

IUPAC2-(2-bromo-4,6-dimethylanilino)-N-carbamoylacetamide
SMILESCc1cc(C)c(NCC(=O)NC(N)=O)c(Br)c1
InChIInChI=1S/C11H14BrN3O2/c1-6-3-7(2)10(8(12)4-6)14-5-9(16)15-11(13)17/h3-4,14H,5H2,1-2H3,(H3,13,15,16,17)
InChIKeyKDNIBUVVBRJAFK-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.67
Rot. Bonds3

About 2-(2-bromo-4,6-dimethylanilino)-N-carbamoylacetamide

2-(2-bromo-4,6-dimethylanilino)-N-carbamoylacetamide (PubChem CID 81496528) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-(2-bromo-4,6-dimethylanilino)-N-carbamoylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4,6-dimethylanilino)-N-carbamoylacetamide
PubChem CID81496528
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name2-(2-bromo-4,6-dimethylanilino)-N-carbamoylacetamide
SMILESCc1cc(C)c(NCC(=O)NC(N)=O)c(Br)c1
InChIInChI=1S/C11H14BrN3O2/c1-6-3-7(2)10(8(12)4-6)14-5-9(16)15-11(13)17/h3-4,14H,5H2,1-2H3,(H3,13,15,16,17)
InChIKeyKDNIBUVVBRJAFK-UHFFFAOYSA-N
XLogP1.67
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dibromo-4-methylanilino)-N-propylacetamide
CID 28991483
2-(2,6-dibromo-4-methylanilino)-N-phenylacetamide
CID 28887968
2-[(2-amino-2-oxoethyl)amino]-3-bromo-5-methylbenzoic acid
CID 18802739
N-tert-butyl-2-(2,4,6-trimethylanilino)acetamide
CID 54812139
N-ethyl-2-(2,4,6-trimethylanilino)acetamide
CID 54812059
3-[(2-bromo-4,6-dimethylanilino)methyl]pentan-3-ol
CID 114493437
4-(2-bromo-4,6-dimethylanilino)-3-hydroxybutanoic acid
CID 103259284
2-(2,6-dibromo-4-methylanilino)-N-(4-fluorophenyl)acetamide
CID 28991479
N-carbamoyl-2-(2,4-dibromo-5-methoxyanilino)acetamide
CID 103412671
2-(4-bromo-3-methoxyanilino)-N-carbamoylacetamide
CID 79493197
N-carbamoyl-2-(2-fluoro-5-methylanilino)acetamide
CID 28879433
butyl 2-(2,6-dibromo-4-methylanilino)acetate
CID 60823263

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-dimethylanilino)-N-carbamoylacetamide?
The IUPAC name of 2-(2-bromo-4,6-dimethylanilino)-N-carbamoylacetamide (CID 81496528) is 2-(2-bromo-4,6-dimethylanilino)-N-carbamoylacetamide.
What is the SMILES notation for 2-(2-bromo-4,6-dimethylanilino)-N-carbamoylacetamide?
The canonical SMILES for 2-(2-bromo-4,6-dimethylanilino)-N-carbamoylacetamide is Cc1cc(C)c(NCC(=O)NC(N)=O)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4,6-dimethylanilino)-N-carbamoylacetamide?
The InChIKey is KDNIBUVVBRJAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-6-3-7(2)10(8(12)4-6)14-5-9(16)15-11(13)17/h3-4,14H,5H2,1-2H3,(H3,13,15,16,17).
What are the key properties of 2-(2-bromo-4,6-dimethylanilino)-N-carbamoylacetamide?
2-(2-bromo-4,6-dimethylanilino)-N-carbamoylacetamide has a molecular weight of 300.16 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,6-dimethylanilino)-N-carbamoylacetamide is sourced from PubChem (CID 81496528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).