4-[(5-bromofuran-2-yl)methylamino]-N-propan-2-ylbenzamide

C15H17BrN2O2 — CID 60934971

IUPAC4-[(5-bromofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NCc2ccc(Br)o2)cc1
InChIInChI=1S/C15H17BrN2O2/c1-10(2)18-15(19)11-3-5-12(6-4-11)17-9-13-7-8-14(16)20-13/h3-8,10,17H,9H2,1-2H3,(H,18,19)
InChIKeyNCZDAAGMCUNSBL-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.79
Rot. Bonds5

About 4-[(5-bromofuran-2-yl)methylamino]-N-propan-2-ylbenzamide

4-[(5-bromofuran-2-yl)methylamino]-N-propan-2-ylbenzamide (PubChem CID 60934971) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 4-[(5-bromofuran-2-yl)methylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(5-bromofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
PubChem CID60934971
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name4-[(5-bromofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NCc2ccc(Br)o2)cc1
InChIInChI=1S/C15H17BrN2O2/c1-10(2)18-15(19)11-3-5-12(6-4-11)17-9-13-7-8-14(16)20-13/h3-8,10,17H,9H2,1-2H3,(H,18,19)
InChIKeyNCZDAAGMCUNSBL-UHFFFAOYSA-N
XLogP3.79
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 60934712
4-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylbenzamide
CID 43681973
5-bromo-N-[4-[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]phenyl]furan-2-carboxamide
CID 55991446
4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide
CID 60935576
2-[4-[(5-bromofuran-2-yl)methylamino]phenyl]-N,N-dimethylacetamide
CID 43720757
N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]methanesulfonamide
CID 43725286
3-[(5-iodofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 43783342
3-[(5-chlorofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 60780285
N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]ethanesulfonamide
CID 60931388
N-[(5-bromofuran-2-yl)methyl]-4-propylaniline
CID 28665805
methyl 5-[(5-bromofuran-2-yl)methylamino]-2-fluorobenzoate
CID 43715401
N-propan-2-yl-4-(pyrazin-2-ylmethylamino)benzamide
CID 62763062

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromofuran-2-yl)methylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[(5-bromofuran-2-yl)methylamino]-N-propan-2-ylbenzamide (CID 60934971) is 4-[(5-bromofuran-2-yl)methylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[(5-bromofuran-2-yl)methylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[(5-bromofuran-2-yl)methylamino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(NCc2ccc(Br)o2)cc1.
What is the InChIKey of 4-[(5-bromofuran-2-yl)methylamino]-N-propan-2-ylbenzamide?
The InChIKey is NCZDAAGMCUNSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-10(2)18-15(19)11-3-5-12(6-4-11)17-9-13-7-8-14(16)20-13/h3-8,10,17H,9H2,1-2H3,(H,18,19).
What are the key properties of 4-[(5-bromofuran-2-yl)methylamino]-N-propan-2-ylbenzamide?
4-[(5-bromofuran-2-yl)methylamino]-N-propan-2-ylbenzamide has a molecular weight of 337.22 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromofuran-2-yl)methylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 60934971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).