3-[1-(5-bromofuran-2-yl)ethylamino]-2-methylbenzamide

C14H15BrN2O2 — CID 104652440

IUPAC3-[1-(5-bromofuran-2-yl)ethylamino]-2-methylbenzamide
SMILESCc1c(NC(C)c2ccc(Br)o2)cccc1C(N)=O
InChIInChI=1S/C14H15BrN2O2/c1-8-10(14(16)18)4-3-5-11(8)17-9(2)12-6-7-13(15)19-12/h3-7,9,17H,1-2H3,(H2,16,18)
InChIKeyUKAHLYLJEKHXKO-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.62
Rot. Bonds4

About 3-[1-(5-bromofuran-2-yl)ethylamino]-2-methylbenzamide

3-[1-(5-bromofuran-2-yl)ethylamino]-2-methylbenzamide (PubChem CID 104652440) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 3-[1-(5-bromofuran-2-yl)ethylamino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[1-(5-bromofuran-2-yl)ethylamino]-2-methylbenzamide
PubChem CID104652440
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name3-[1-(5-bromofuran-2-yl)ethylamino]-2-methylbenzamide
SMILESCc1c(NC(C)c2ccc(Br)o2)cccc1C(N)=O
InChIInChI=1S/C14H15BrN2O2/c1-8-10(14(16)18)4-3-5-11(8)17-9(2)12-6-7-13(15)19-12/h3-7,9,17H,1-2H3,(H2,16,18)
InChIKeyUKAHLYLJEKHXKO-UHFFFAOYSA-N
XLogP3.62
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(propan-2-ylamino)benzamide
CID 43694179
N-[1-(5-bromofuran-2-yl)ethyl]-3-chloro-2-methylaniline
CID 113437440
3-[1-(2,4-dibromophenyl)ethylamino]-2-methylbenzamide
CID 60781874
N,2-dimethyl-3-[1-(5-methylfuran-2-yl)ethylamino]benzamide
CID 43734599
5-[1-(5-bromofuran-2-yl)ethylamino]-2-chlorobenzamide
CID 104652478
2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]aniline
CID 104652074
3-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-2-methylbenzamide
CID 107714808
2-[1-(5-bromofuran-2-yl)ethylamino]-6-methylbenzonitrile
CID 107803391
methyl 5-[1-(3-bromo-2-methylanilino)ethyl]furan-2-carboxylate
CID 107636489
3-(1-cyclopropylpropan-2-ylamino)-2-methylbenzamide
CID 115928848
3-[1-(5-bromofuran-2-yl)ethylamino]-4-methylbenzoic acid
CID 104652572
N-[1-(5-bromofuran-2-yl)ethyl]-2-methylquinolin-8-amine
CID 104652980

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-bromofuran-2-yl)ethylamino]-2-methylbenzamide?
The IUPAC name of 3-[1-(5-bromofuran-2-yl)ethylamino]-2-methylbenzamide (CID 104652440) is 3-[1-(5-bromofuran-2-yl)ethylamino]-2-methylbenzamide.
What is the SMILES notation for 3-[1-(5-bromofuran-2-yl)ethylamino]-2-methylbenzamide?
The canonical SMILES for 3-[1-(5-bromofuran-2-yl)ethylamino]-2-methylbenzamide is Cc1c(NC(C)c2ccc(Br)o2)cccc1C(N)=O.
What is the InChIKey of 3-[1-(5-bromofuran-2-yl)ethylamino]-2-methylbenzamide?
The InChIKey is UKAHLYLJEKHXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-8-10(14(16)18)4-3-5-11(8)17-9(2)12-6-7-13(15)19-12/h3-7,9,17H,1-2H3,(H2,16,18).
What are the key properties of 3-[1-(5-bromofuran-2-yl)ethylamino]-2-methylbenzamide?
3-[1-(5-bromofuran-2-yl)ethylamino]-2-methylbenzamide has a molecular weight of 323.19 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-bromofuran-2-yl)ethylamino]-2-methylbenzamide is sourced from PubChem (CID 104652440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).