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

C16H17BrN2O3 — CID 55781738

IUPAC5-bromo-N-[[4-(butanoylamino)phenyl]methyl]furan-2-carboxamide
SMILESCCCC(=O)Nc1ccc(CNC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C16H17BrN2O3/c1-2-3-15(20)19-12-6-4-11(5-7-12)10-18-16(21)13-8-9-14(17)22-13/h4-9H,2-3,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyUDZIVYKPWOFYGC-UHFFFAOYSA-N
MW365.23 g/mol
LogP3.71
Rot. Bonds6

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

5-bromo-N-[[4-(butanoylamino)phenyl]methyl]furan-2-carboxamide (PubChem CID 55781738) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is 5-bromo-N-[[4-(butanoylamino)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[4-(butanoylamino)phenyl]methyl]furan-2-carboxamide
PubChem CID55781738
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC Name5-bromo-N-[[4-(butanoylamino)phenyl]methyl]furan-2-carboxamide
SMILESCCCC(=O)Nc1ccc(CNC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C16H17BrN2O3/c1-2-3-15(20)19-12-6-4-11(5-7-12)10-18-16(21)13-8-9-14(17)22-13/h4-9H,2-3,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyUDZIVYKPWOFYGC-UHFFFAOYSA-N
XLogP3.71
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(butanoylamino)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78887130
5-bromo-N-[2-oxo-2-(4-propylanilino)ethyl]furan-2-carboxamide
CID 9294205
5-bromo-N-[2-(butanoylamino)phenyl]furan-2-carboxamide
CID 1297850
5-bromo-N-[4-[[4-(butylcarbamoyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 112841943
5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 7978577
4-bromo-N-[[4-(butanoylamino)phenyl]methyl]-2-methylbenzamide
CID 55849221
5-bromo-N-[4-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55791104
N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide
CID 119289487
5-bromo-N-[(4-ethylsulfanylphenyl)methyl]furan-2-carboxamide
CID 110794530
N-[[4-(butanoylamino)phenyl]methyl]-4-methylsulfanylbenzamide
CID 78887137
[2-(4-ethylanilino)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7883995
N-[[4-(carbamoylamino)phenyl]methyl]-5-methylfuran-2-carboxamide
CID 47141294

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[4-(butanoylamino)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[[4-(butanoylamino)phenyl]methyl]furan-2-carboxamide (CID 55781738) is 5-bromo-N-[[4-(butanoylamino)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[[4-(butanoylamino)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[[4-(butanoylamino)phenyl]methyl]furan-2-carboxamide is CCCC(=O)Nc1ccc(CNC(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of 5-bromo-N-[[4-(butanoylamino)phenyl]methyl]furan-2-carboxamide?
The InChIKey is UDZIVYKPWOFYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c1-2-3-15(20)19-12-6-4-11(5-7-12)10-18-16(21)13-8-9-14(17)22-13/h4-9H,2-3,10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 5-bromo-N-[[4-(butanoylamino)phenyl]methyl]furan-2-carboxamide?
5-bromo-N-[[4-(butanoylamino)phenyl]methyl]furan-2-carboxamide has a molecular weight of 365.23 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[4-(butanoylamino)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 55781738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).