5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide

C23H28Br2N2O4 — CID 1083377

IUPAC5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide
SMILESO=C(NC1CCC(CC2CCC(NC(=O)c3ccc(Br)o3)CC2)CC1)c1ccc(Br)o1
InChIInChI=1S/C23H28Br2N2O4/c24-20-11-9-18(30-20)22(28)26-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)27-23(29)19-10-12-21(25)31-19/h9-12,14-17H,1-8,13H2,(H,26,28)(H,27,29)
InChIKeySAUPXLWDLBBGGZ-UHFFFAOYSA-N
MW556.30 g/mol
LogP6.07
Rot. Bonds6

About 5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide

5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide (PubChem CID 1083377) has the molecular formula C23H28Br2N2O4 and a molecular weight of 556.30 g/mol. Its IUPAC name is 5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide
PubChem CID1083377
Molecular FormulaC23H28Br2N2O4
Molecular Weight556.30 g/mol
Exact Mass554.04
IUPAC Name5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide
SMILESO=C(NC1CCC(CC2CCC(NC(=O)c3ccc(Br)o3)CC2)CC1)c1ccc(Br)o1
InChIInChI=1S/C23H28Br2N2O4/c24-20-11-9-18(30-20)22(28)26-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)27-23(29)19-10-12-21(25)31-19/h9-12,14-17H,1-8,13H2,(H,26,28)(H,27,29)
InChIKeySAUPXLWDLBBGGZ-UHFFFAOYSA-N
XLogP6.07
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.30
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide with MolForge

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Related Compounds

N-(4-aminocyclohexyl)-5-bromofuran-2-carboxamide;hydrochloride
CID 119474938
5-bromo-N-cyclododecylfuran-2-carboxamide
CID 2072742
5-bromo-N-[4-(2-methylbutan-2-yl)cyclohexyl]furan-2-carboxamide
CID 18272889
methyl 4-[(5-bromofuran-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 112690033
5-bromo-N-(1-cyclopropylpiperidin-4-yl)furan-2-carboxamide
CID 60730594
5-bromo-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 51299744
5-bromo-N-(3-cyclopropylpropyl)furan-2-carboxamide
CID 115635897
5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 38198333
5-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]furan-2-carboxamide
CID 108551717
4-[(5-bromofuran-2-carbonyl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108560310
5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide
CID 55028748
5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)furan-2-carboxamide
CID 103966929

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide (CID 1083377) is 5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide is O=C(NC1CCC(CC2CCC(NC(=O)c3ccc(Br)o3)CC2)CC1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide?
The InChIKey is SAUPXLWDLBBGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Br2N2O4/c24-20-11-9-18(30-20)22(28)26-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)27-23(29)19-10-12-21(25)31-19/h9-12,14-17H,1-8,13H2,(H,26,28)(H,27,29).
What are the key properties of 5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide?
5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide has a molecular weight of 556.30 g/mol, XLogP of 6.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide is sourced from PubChem (CID 1083377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).