N-[2-[(5-bromofuran-2-yl)carbamoylamino]ethyl]acetamide

C9H12BrN3O3 — CID 108873033

IUPACN-[2-[(5-bromofuran-2-yl)carbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)Nc1ccc(Br)o1
InChIInChI=1S/C9H12BrN3O3/c1-6(14)11-4-5-12-9(15)13-8-3-2-7(10)16-8/h2-3H,4-5H2,1H3,(H,11,14)(H2,12,13,15)
InChIKeyPWDYFHWAERFGNA-UHFFFAOYSA-N
MW290.12 g/mol
LogP1.30
Rot. Bonds4

About N-[2-[(5-bromofuran-2-yl)carbamoylamino]ethyl]acetamide

N-[2-[(5-bromofuran-2-yl)carbamoylamino]ethyl]acetamide (PubChem CID 108873033) has the molecular formula C9H12BrN3O3 and a molecular weight of 290.12 g/mol. Its IUPAC name is N-[2-[(5-bromofuran-2-yl)carbamoylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-bromofuran-2-yl)carbamoylamino]ethyl]acetamide
PubChem CID108873033
Molecular FormulaC9H12BrN3O3
Molecular Weight290.12 g/mol
Exact Mass289.01
IUPAC NameN-[2-[(5-bromofuran-2-yl)carbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)Nc1ccc(Br)o1
InChIInChI=1S/C9H12BrN3O3/c1-6(14)11-4-5-12-9(15)13-8-3-2-7(10)16-8/h2-3H,4-5H2,1H3,(H,11,14)(H2,12,13,15)
InChIKeyPWDYFHWAERFGNA-UHFFFAOYSA-N
XLogP1.30
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(5-bromofuran-2-yl)carbamoylamino]phenyl]acetamide
CID 108872783
1-(5-bromofuran-2-yl)-3-[2-(3-methylphenyl)ethyl]urea
CID 108873114
1-(5-bromofuran-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 108873091
3-(5-bromofuran-2-yl)-1,1-diethylurea
CID 108872969
1-(5-bromofuran-2-yl)-3-(2,4-dimethylphenyl)urea
CID 108872887
N-[2-[[4-(dimethylamino)phenyl]carbamoylamino]ethyl]acetamide
CID 47192652
N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide
CID 47103341
1-(5-bromofuran-2-yl)-3-(2,4-dimethoxyphenyl)urea
CID 108872949
1-(5-bromofuran-2-yl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108873063
dimethyl 2-[(5-bromofuran-2-yl)carbamoylamino]benzene-1,4-dicarboxylate
CID 108872954
N-(2-acetamidoethyl)-N'-(4-bromophenyl)oxamide
CID 47226214
5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromofuran-2-yl)carbamoylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(5-bromofuran-2-yl)carbamoylamino]ethyl]acetamide (CID 108873033) is N-[2-[(5-bromofuran-2-yl)carbamoylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(5-bromofuran-2-yl)carbamoylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(5-bromofuran-2-yl)carbamoylamino]ethyl]acetamide is CC(=O)NCCNC(=O)Nc1ccc(Br)o1.
What is the InChIKey of N-[2-[(5-bromofuran-2-yl)carbamoylamino]ethyl]acetamide?
The InChIKey is PWDYFHWAERFGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O3/c1-6(14)11-4-5-12-9(15)13-8-3-2-7(10)16-8/h2-3H,4-5H2,1H3,(H,11,14)(H2,12,13,15).
What are the key properties of N-[2-[(5-bromofuran-2-yl)carbamoylamino]ethyl]acetamide?
N-[2-[(5-bromofuran-2-yl)carbamoylamino]ethyl]acetamide has a molecular weight of 290.12 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromofuran-2-yl)carbamoylamino]ethyl]acetamide is sourced from PubChem (CID 108873033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).