1-[(5-bromofuran-2-carbonyl)amino]-3-cyclohexylurea

C12H16BrN3O3 — CID 4678581

IUPAC1-[(5-bromofuran-2-carbonyl)amino]-3-cyclohexylurea
SMILESO=C(NNC(=O)c1ccc(Br)o1)NC1CCCCC1
InChIInChI=1S/C12H16BrN3O3/c13-10-7-6-9(19-10)11(17)15-16-12(18)14-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,15,17)(H2,14,16,18)
InChIKeyJMHBXSPNMSZGQF-UHFFFAOYSA-N
MW330.18 g/mol
LogP2.32
Rot. Bonds2

About 1-[(5-bromofuran-2-carbonyl)amino]-3-cyclohexylurea

1-[(5-bromofuran-2-carbonyl)amino]-3-cyclohexylurea (PubChem CID 4678581) has the molecular formula C12H16BrN3O3 and a molecular weight of 330.18 g/mol. Its IUPAC name is 1-[(5-bromofuran-2-carbonyl)amino]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[(5-bromofuran-2-carbonyl)amino]-3-cyclohexylurea
PubChem CID4678581
Molecular FormulaC12H16BrN3O3
Molecular Weight330.18 g/mol
Exact Mass329.04
IUPAC Name1-[(5-bromofuran-2-carbonyl)amino]-3-cyclohexylurea
SMILESO=C(NNC(=O)c1ccc(Br)o1)NC1CCCCC1
InChIInChI=1S/C12H16BrN3O3/c13-10-7-6-9(19-10)11(17)15-16-12(18)14-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,15,17)(H2,14,16,18)
InChIKeyJMHBXSPNMSZGQF-UHFFFAOYSA-N
XLogP2.32
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-cyclododecylfuran-2-carboxamide
CID 2072742
5-bromo-N-(1-cyclohexylethyl)furan-2-carboxamide
CID 55069127
N-(4-aminocyclohexyl)-5-bromofuran-2-carboxamide;hydrochloride
CID 119474938
5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide
CID 1083377
5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide
CID 55028748
N-[(1R,2R)-2-aminocyclohexyl]-5-bromofuran-2-carboxamide
CID 93452199
1-cyclopropyl-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea
CID 36873362
5-bromo-N-cyclopentyloxyfuran-2-carboxamide
CID 83202863
1-[(3-bromobenzoyl)amino]-3-cyclohexylurea
CID 3693189
5-bromo-N-(1-cyclopropylpiperidin-4-yl)furan-2-carboxamide
CID 60730594
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 2628765
methyl 4-[(5-bromofuran-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 112690033

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-2-carbonyl)amino]-3-cyclohexylurea?
The IUPAC name of 1-[(5-bromofuran-2-carbonyl)amino]-3-cyclohexylurea (CID 4678581) is 1-[(5-bromofuran-2-carbonyl)amino]-3-cyclohexylurea.
What is the SMILES notation for 1-[(5-bromofuran-2-carbonyl)amino]-3-cyclohexylurea?
The canonical SMILES for 1-[(5-bromofuran-2-carbonyl)amino]-3-cyclohexylurea is O=C(NNC(=O)c1ccc(Br)o1)NC1CCCCC1.
What is the InChIKey of 1-[(5-bromofuran-2-carbonyl)amino]-3-cyclohexylurea?
The InChIKey is JMHBXSPNMSZGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O3/c13-10-7-6-9(19-10)11(17)15-16-12(18)14-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,15,17)(H2,14,16,18).
What are the key properties of 1-[(5-bromofuran-2-carbonyl)amino]-3-cyclohexylurea?
1-[(5-bromofuran-2-carbonyl)amino]-3-cyclohexylurea has a molecular weight of 330.18 g/mol, XLogP of 2.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromofuran-2-carbonyl)amino]-3-cyclohexylurea is sourced from PubChem (CID 4678581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).