5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide

C15H17BrN2O2 — CID 738269

IUPAC5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C15H17BrN2O2/c1-3-18(4-2)12-7-5-11(6-8-12)17-15(19)13-9-10-14(16)20-13/h5-10H,3-4H2,1-2H3,(H,17,19)
InChIKeyLNLUUHHZBFYLCF-UHFFFAOYSA-N
MW337.22 g/mol
LogP4.14
Rot. Bonds5

About 5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide

5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide (PubChem CID 738269) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide
PubChem CID738269
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C15H17BrN2O2/c1-3-18(4-2)12-7-5-11(6-8-12)17-15(19)13-9-10-14(16)20-13/h5-10H,3-4H2,1-2H3,(H,17,19)
InChIKeyLNLUUHHZBFYLCF-UHFFFAOYSA-N
XLogP4.14
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[[4-(diethylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 3280655
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide
CID 3111249
N-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 30838668
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213
5-chloro-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]furan-2-carboxamide
CID 106685549
5-bromo-N-[4-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 78896961
ethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 703718
5-bromo-N-[4-(ethylsulfamoyl)phenyl]furan-2-carboxamide
CID 17070827
N-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21047933
N-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19465788
5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide
CID 46488304

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide (CID 738269) is 5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of 5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide?
The InChIKey is LNLUUHHZBFYLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-3-18(4-2)12-7-5-11(6-8-12)17-15(19)13-9-10-14(16)20-13/h5-10H,3-4H2,1-2H3,(H,17,19).
What are the key properties of 5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide?
5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide has a molecular weight of 337.22 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 738269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).