N-butan-2-yl-N-ethylcarbamoyl bromide

C7H14BrNO — CID 140982150

IUPACN-butan-2-yl-N-ethylcarbamoyl bromide
SMILESCCC(C)N(CC)C(=O)Br
InChIInChI=1S/C7H14BrNO/c1-4-6(3)9(5-2)7(8)10/h6H,4-5H2,1-3H3
InChIKeySGWWAIOYEOMRDW-UHFFFAOYSA-N
MW208.10 g/mol
LogP2.62
Rot. Bonds3

About N-butan-2-yl-N-ethylcarbamoyl bromide

N-butan-2-yl-N-ethylcarbamoyl bromide (PubChem CID 140982150) has the molecular formula C7H14BrNO and a molecular weight of 208.10 g/mol. Its IUPAC name is N-butan-2-yl-N-ethylcarbamoyl bromide.

Molecular Properties

Compound NameN-butan-2-yl-N-ethylcarbamoyl bromide
PubChem CID140982150
Molecular FormulaC7H14BrNO
Molecular Weight208.10 g/mol
Exact Mass207.03
IUPAC NameN-butan-2-yl-N-ethylcarbamoyl bromide
SMILESCCC(C)N(CC)C(=O)Br
InChIInChI=1S/C7H14BrNO/c1-4-6(3)9(5-2)7(8)10/h6H,4-5H2,1-3H3
InChIKeySGWWAIOYEOMRDW-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-N-ethyl-3-oxobutanamide
CID 43274631
3-amino-N-butan-2-yl-N-ethylpropanamide
CID 43274458
4-[butan-2-yl(ethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103495920
3,5-dibromo-N-butan-2-yl-N-ethylbenzamide
CID 107980072
N-ethyl-N-prop-1-en-2-ylbutan-2-amine
CID 143392263
5-[butan-2-yl(ethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965888
4-amino-N-butan-2-yl-N-ethylbutanamide
CID 43274608
(2R)-2-amino-N-butan-2-yl-N-ethyl-4-methylpentanamide
CID 104902610
2-[[butan-2-yl(ethyl)carbamoyl]-ethylamino]acetic acid
CID 61198906
1-butan-2-yl-1-ethylthiourea
CID 43274502
N-butan-2-yl-5-chloro-N-ethylpentanamide
CID 43274439
2-amino-N-butan-2-yl-N-ethylbenzamide
CID 43274061

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-ethylcarbamoyl bromide?
The IUPAC name of N-butan-2-yl-N-ethylcarbamoyl bromide (CID 140982150) is N-butan-2-yl-N-ethylcarbamoyl bromide.
What is the SMILES notation for N-butan-2-yl-N-ethylcarbamoyl bromide?
The canonical SMILES for N-butan-2-yl-N-ethylcarbamoyl bromide is CCC(C)N(CC)C(=O)Br.
What is the InChIKey of N-butan-2-yl-N-ethylcarbamoyl bromide?
The InChIKey is SGWWAIOYEOMRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO/c1-4-6(3)9(5-2)7(8)10/h6H,4-5H2,1-3H3.
What are the key properties of N-butan-2-yl-N-ethylcarbamoyl bromide?
N-butan-2-yl-N-ethylcarbamoyl bromide has a molecular weight of 208.10 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethylcarbamoyl bromide is sourced from PubChem (CID 140982150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).