4-bromo-2,5-dimethyl-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-3-carboxamide

C18H21BrN2O3 — CID 55655958

IUPAC4-bromo-2,5-dimethyl-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-3-carboxamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)c2c(C)oc(C)c2Br)cc1
InChIInChI=1S/C18H21BrN2O3/c1-5-15(22)21-14-8-6-13(7-9-14)10(2)20-18(23)16-11(3)24-12(4)17(16)19/h6-10H,5H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyGFJZFHLGUMCACT-UHFFFAOYSA-N
MW393.28 g/mol
LogP4.50
Rot. Bonds5

About 4-bromo-2,5-dimethyl-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-3-carboxamide

4-bromo-2,5-dimethyl-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-3-carboxamide (PubChem CID 55655958) has the molecular formula C18H21BrN2O3 and a molecular weight of 393.28 g/mol. Its IUPAC name is 4-bromo-2,5-dimethyl-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name4-bromo-2,5-dimethyl-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-3-carboxamide
PubChem CID55655958
Molecular FormulaC18H21BrN2O3
Molecular Weight393.28 g/mol
Exact Mass392.07
IUPAC Name4-bromo-2,5-dimethyl-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-3-carboxamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)c2c(C)oc(C)c2Br)cc1
InChIInChI=1S/C18H21BrN2O3/c1-5-15(22)21-14-8-6-13(7-9-14)10(2)20-18(23)16-11(3)24-12(4)17(16)19/h6-10H,5H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyGFJZFHLGUMCACT-UHFFFAOYSA-N
XLogP4.50
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide
CID 175162344
N-[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]propanamide
CID 154832906
3,5-dichloro-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 46436900
5-chloro-3-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]-1-benzofuran-2-carboxamide
CID 46433020
N-[1-(4-bromophenyl)ethyl]-3-(propanoylamino)benzamide
CID 55833406
6-chloro-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide
CID 51136210
3,3-diphenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide
CID 46468381
3-cyclopropyl-N-[(1S)-1-[4-(propanoylamino)phenyl]ethyl]thiophene-2-carboxamide
CID 94817248
N-[4-[1-(4-chlorophenyl)ethylamino]phenyl]propanamide
CID 43720632
2,4,5-trimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]furan-3-carboxamide
CID 46432738
3-benzamido-4-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 46432967

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,5-dimethyl-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-3-carboxamide?
The IUPAC name of 4-bromo-2,5-dimethyl-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-3-carboxamide (CID 55655958) is 4-bromo-2,5-dimethyl-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-3-carboxamide.
What is the SMILES notation for 4-bromo-2,5-dimethyl-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-3-carboxamide?
The canonical SMILES for 4-bromo-2,5-dimethyl-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-3-carboxamide is CCC(=O)Nc1ccc(C(C)NC(=O)c2c(C)oc(C)c2Br)cc1.
What is the InChIKey of 4-bromo-2,5-dimethyl-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-3-carboxamide?
The InChIKey is GFJZFHLGUMCACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3/c1-5-15(22)21-14-8-6-13(7-9-14)10(2)20-18(23)16-11(3)24-12(4)17(16)19/h6-10H,5H2,1-4H3,(H,20,23)(H,21,22).
What are the key properties of 4-bromo-2,5-dimethyl-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-3-carboxamide?
4-bromo-2,5-dimethyl-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-3-carboxamide has a molecular weight of 393.28 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,5-dimethyl-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-3-carboxamide is sourced from PubChem (CID 55655958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).