5-bromo-N-[4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide

C21H25BrN2O3 — CID 60543526

IUPAC5-bromo-N-[4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)C1CCCCC1
InChIInChI=1S/C21H25BrN2O3/c1-2-24(17-6-4-3-5-7-17)20(25)14-15-8-10-16(11-9-15)23-21(26)18-12-13-19(22)27-18/h8-13,17H,2-7,14H2,1H3,(H,23,26)
InChIKeyRLZKBCRNFISTGR-UHFFFAOYSA-N
MW433.35 g/mol
LogP5.02
Rot. Bonds6

About 5-bromo-N-[4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide

5-bromo-N-[4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide (PubChem CID 60543526) has the molecular formula C21H25BrN2O3 and a molecular weight of 433.35 g/mol. Its IUPAC name is 5-bromo-N-[4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide
PubChem CID60543526
Molecular FormulaC21H25BrN2O3
Molecular Weight433.35 g/mol
Exact Mass432.10
IUPAC Name5-bromo-N-[4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)C1CCCCC1
InChIInChI=1S/C21H25BrN2O3/c1-2-24(17-6-4-3-5-7-17)20(25)14-15-8-10-16(11-9-15)23-21(26)18-12-13-19(22)27-18/h8-13,17H,2-7,14H2,1H3,(H,23,26)
InChIKeyRLZKBCRNFISTGR-UHFFFAOYSA-N
XLogP5.02
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.35
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[4-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 112834235
5-bromo-N-[4-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 78896961
5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide
CID 738269
5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide
CID 46488304
N-cyclopentyl-N-ethyl-2-(4-fluorophenyl)acetamide
CID 86926966
5-bromo-N-[4-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenyl]furan-2-carboxamide
CID 55790893
cyclohexyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 1407181
5-bromo-N-cyclopropyl-N-ethylfuran-2-carboxamide
CID 60729086
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
ethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 703718
5-bromo-N-[4-(ethylsulfamoyl)phenyl]furan-2-carboxamide
CID 17070827
5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide
CID 3111249

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide (CID 60543526) is 5-bromo-N-[4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide is CCN(C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)C1CCCCC1.
What is the InChIKey of 5-bromo-N-[4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide?
The InChIKey is RLZKBCRNFISTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O3/c1-2-24(17-6-4-3-5-7-17)20(25)14-15-8-10-16(11-9-15)23-21(26)18-12-13-19(22)27-18/h8-13,17H,2-7,14H2,1H3,(H,23,26).
What are the key properties of 5-bromo-N-[4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide has a molecular weight of 433.35 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 60543526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).