2-[(2-bromoacetyl)amino]-N-ethylacetamide

C6H11BrN2O2 — CID 58987159

IUPAC2-[(2-bromoacetyl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNC(=O)CBr
InChIInChI=1S/C6H11BrN2O2/c1-2-8-6(11)4-9-5(10)3-7/h2-4H2,1H3,(H,8,11)(H,9,10)
InChIKeyHNMQQLLYELFVHD-UHFFFAOYSA-N
MW223.07 g/mol
LogP-0.37
Rot. Bonds4

About 2-[(2-bromoacetyl)amino]-N-ethylacetamide

2-[(2-bromoacetyl)amino]-N-ethylacetamide (PubChem CID 58987159) has the molecular formula C6H11BrN2O2 and a molecular weight of 223.07 g/mol. Its IUPAC name is 2-[(2-bromoacetyl)amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(2-bromoacetyl)amino]-N-ethylacetamide
PubChem CID58987159
Molecular FormulaC6H11BrN2O2
Molecular Weight223.07 g/mol
Exact Mass222.00
IUPAC Name2-[(2-bromoacetyl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNC(=O)CBr
InChIInChI=1S/C6H11BrN2O2/c1-2-8-6(11)4-9-5(10)3-7/h2-4H2,1H3,(H,8,11)(H,9,10)
InChIKeyHNMQQLLYELFVHD-UHFFFAOYSA-N
XLogP-0.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 5-0.37
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

2-[(2-bromoacetyl)amino]-N-butylacetamide
CID 82110073
2-bromo-N-(2-oxopropyl)acetamide
CID 21339518
N-ethyl-2-(phosphanylcarbonylamino)acetamide
CID 156853608
N-ethyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]acetamide
CID 112605003
tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126589495
N-ethyl-2-(methoxyamino)acetamide
CID 60702282
2-[(2-bromoacetyl)amino]-N-(3-methoxypropyl)acetamide
CID 82108968
N-ethyl-2-(methylamino)acetamide;hydrochloride
CID 18526161
N,N'-diethylpropanediamide
CID 4600245
ethyl 2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoacetate
CID 60894132
2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 90995903
4-chloro-N-[2-(ethylamino)-2-oxoethyl]butanamide
CID 63309569

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromoacetyl)amino]-N-ethylacetamide?
The IUPAC name of 2-[(2-bromoacetyl)amino]-N-ethylacetamide (CID 58987159) is 2-[(2-bromoacetyl)amino]-N-ethylacetamide.
What is the SMILES notation for 2-[(2-bromoacetyl)amino]-N-ethylacetamide?
The canonical SMILES for 2-[(2-bromoacetyl)amino]-N-ethylacetamide is CCNC(=O)CNC(=O)CBr.
What is the InChIKey of 2-[(2-bromoacetyl)amino]-N-ethylacetamide?
The InChIKey is HNMQQLLYELFVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrN2O2/c1-2-8-6(11)4-9-5(10)3-7/h2-4H2,1H3,(H,8,11)(H,9,10).
What are the key properties of 2-[(2-bromoacetyl)amino]-N-ethylacetamide?
2-[(2-bromoacetyl)amino]-N-ethylacetamide has a molecular weight of 223.07 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromoacetyl)amino]-N-ethylacetamide is sourced from PubChem (CID 58987159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).