N-[4-[(5-bromofuran-2-yl)carbamoylamino]phenyl]acetamide

C13H12BrN3O3 — CID 108872783

IUPACN-[4-[(5-bromofuran-2-yl)carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Nc2ccc(Br)o2)cc1
InChIInChI=1S/C13H12BrN3O3/c1-8(18)15-9-2-4-10(5-3-9)16-13(19)17-12-7-6-11(14)20-12/h2-7H,1H3,(H,15,18)(H2,16,17,19)
InChIKeyMFJVUZKTIJWWEZ-UHFFFAOYSA-N
MW338.16 g/mol
LogP3.64
Rot. Bonds3

About N-[4-[(5-bromofuran-2-yl)carbamoylamino]phenyl]acetamide

N-[4-[(5-bromofuran-2-yl)carbamoylamino]phenyl]acetamide (PubChem CID 108872783) has the molecular formula C13H12BrN3O3 and a molecular weight of 338.16 g/mol. Its IUPAC name is N-[4-[(5-bromofuran-2-yl)carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-bromofuran-2-yl)carbamoylamino]phenyl]acetamide
PubChem CID108872783
Molecular FormulaC13H12BrN3O3
Molecular Weight338.16 g/mol
Exact Mass337.01
IUPAC NameN-[4-[(5-bromofuran-2-yl)carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Nc2ccc(Br)o2)cc1
InChIInChI=1S/C13H12BrN3O3/c1-8(18)15-9-2-4-10(5-3-9)16-13(19)17-12-7-6-11(14)20-12/h2-7H,1H3,(H,15,18)(H2,16,17,19)
InChIKeyMFJVUZKTIJWWEZ-UHFFFAOYSA-N
XLogP3.64
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(5-bromofuran-2-yl)carbamoylamino]ethyl]acetamide
CID 108873033
1-(5-bromofuran-2-yl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 108872890
3-[(5-bromofuran-2-yl)carbamoylamino]benzenesulfonic acid
CID 108872785
1-(5-bromofuran-2-yl)-3-(2,4-dimethylphenyl)urea
CID 108872887
1-(5-bromofuran-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 108873091
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 3677015
N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide
CID 6468047
1-(5-bromofuran-2-yl)-3-(2,4-dimethoxyphenyl)urea
CID 108872949
3-(5-bromofuran-2-yl)-1,1-diethylurea
CID 108872969
dimethyl 2-[(5-bromofuran-2-yl)carbamoylamino]benzene-1,4-dicarboxylate
CID 108872954
N-[[(4-acetamidobenzoyl)amino]carbamothioyl]-5-bromofuran-2-carboxamide
CID 4503159
1-(5-bromofuran-2-yl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108873063

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-bromofuran-2-yl)carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(5-bromofuran-2-yl)carbamoylamino]phenyl]acetamide (CID 108872783) is N-[4-[(5-bromofuran-2-yl)carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-bromofuran-2-yl)carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-bromofuran-2-yl)carbamoylamino]phenyl]acetamide is CC(=O)Nc1ccc(NC(=O)Nc2ccc(Br)o2)cc1.
What is the InChIKey of N-[4-[(5-bromofuran-2-yl)carbamoylamino]phenyl]acetamide?
The InChIKey is MFJVUZKTIJWWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O3/c1-8(18)15-9-2-4-10(5-3-9)16-13(19)17-12-7-6-11(14)20-12/h2-7H,1H3,(H,15,18)(H2,16,17,19).
What are the key properties of N-[4-[(5-bromofuran-2-yl)carbamoylamino]phenyl]acetamide?
N-[4-[(5-bromofuran-2-yl)carbamoylamino]phenyl]acetamide has a molecular weight of 338.16 g/mol, XLogP of 3.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-bromofuran-2-yl)carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 108872783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).