2-bromo-N-carbamoyl-2-ethylbutanamide;ethane

C9H19BrN2O2 — CID 87656093

IUPAC2-bromo-N-carbamoyl-2-ethylbutanamide;ethane
SMILESCC.CCC(Br)(CC)C(=O)NC(N)=O
InChIInChI=1S/C7H13BrN2O2.C2H6/c1-3-7(8,4-2)5(11)10-6(9)12;1-2/h3-4H2,1-2H3,(H3,9,10,11,12);1-2H3
InChIKeyUYUQFNRVUHIXKS-UHFFFAOYSA-N
MW267.17 g/mol
LogP2.16
Rot. Bonds3

About 2-bromo-N-carbamoyl-2-ethylbutanamide;ethane

2-bromo-N-carbamoyl-2-ethylbutanamide;ethane (PubChem CID 87656093) has the molecular formula C9H19BrN2O2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 2-bromo-N-carbamoyl-2-ethylbutanamide;ethane.

Molecular Properties

Compound Name2-bromo-N-carbamoyl-2-ethylbutanamide;ethane
PubChem CID87656093
Molecular FormulaC9H19BrN2O2
Molecular Weight267.17 g/mol
Exact Mass266.06
IUPAC Name2-bromo-N-carbamoyl-2-ethylbutanamide;ethane
SMILESCC.CCC(Br)(CC)C(=O)NC(N)=O
InChIInChI=1S/C7H13BrN2O2.C2H6/c1-3-7(8,4-2)5(11)10-6(9)12;1-2/h3-4H2,1-2H3,(H3,9,10,11,12);1-2H3
InChIKeyUYUQFNRVUHIXKS-UHFFFAOYSA-N
XLogP2.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

azane;2-bromo-N-carbamoyl-2-ethylbutanamide
CID 173440732
azetidine;2-bromo-N-carbamoyl-2-ethylbutanamide
CID 134249157
2-bromo-N-carbamoyl-2-ethylbutanamide;iron(3+);phosphate
CID 88764343
2-bromo-N-carbamoyl-2-ethylbutanamide;hexanedioic acid;hydrochloride
CID 87252337
bicyclo[2.2.1]heptane;2-bromo-N-carbamoyl-2-ethylbutanamide
CID 67292805
2-bromo-N-carbamoyl-2-ethylbutanamide;(4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaene
CID 87902355
2-bromo-N-carbamoyl-2-ethylbutanamide;pentyl dihydrogen phosphate
CID 88736251
2-bromo-N-carbamoyl-2-ethylbutanamide;phosphono dihydrogen phosphate;piperazine
CID 87707474
N-(2-bromo-2-ethylbutanoyl)carbamoyl chloride
CID 151424011
2-bromo-N-carbamoyl-2-ethylbutanamide;N,N-dimethyl-2,2-diphenylacetamide
CID 66811490
2-bromo-N-carbamoyl-2-ethylbutanamide;butane;3-(2,3-dicarboxyphenyl)phthalic acid;hydrochloride
CID 67783069
N-carbamoyl-2-ethyl-2-methoxybutanamide
CID 23273727

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-carbamoyl-2-ethylbutanamide;ethane?
The IUPAC name of 2-bromo-N-carbamoyl-2-ethylbutanamide;ethane (CID 87656093) is 2-bromo-N-carbamoyl-2-ethylbutanamide;ethane.
What is the SMILES notation for 2-bromo-N-carbamoyl-2-ethylbutanamide;ethane?
The canonical SMILES for 2-bromo-N-carbamoyl-2-ethylbutanamide;ethane is CC.CCC(Br)(CC)C(=O)NC(N)=O.
What is the InChIKey of 2-bromo-N-carbamoyl-2-ethylbutanamide;ethane?
The InChIKey is UYUQFNRVUHIXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrN2O2.C2H6/c1-3-7(8,4-2)5(11)10-6(9)12;1-2/h3-4H2,1-2H3,(H3,9,10,11,12);1-2H3.
What are the key properties of 2-bromo-N-carbamoyl-2-ethylbutanamide;ethane?
2-bromo-N-carbamoyl-2-ethylbutanamide;ethane has a molecular weight of 267.17 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-carbamoyl-2-ethylbutanamide;ethane is sourced from PubChem (CID 87656093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).