2-bromo-N-[1-(furan-2-yl)ethyl]-5-methylbenzamide

C14H14BrNO2 — CID 80966287

IUPAC2-bromo-N-[1-(furan-2-yl)ethyl]-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NC(C)c2ccco2)c1
InChIInChI=1S/C14H14BrNO2/c1-9-5-6-12(15)11(8-9)14(17)16-10(2)13-4-3-7-18-13/h3-8,10H,1-2H3,(H,16,17)
InChIKeyKNRBRMSQFOUIAB-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.84
Rot. Bonds3

About 2-bromo-N-[1-(furan-2-yl)ethyl]-5-methylbenzamide

2-bromo-N-[1-(furan-2-yl)ethyl]-5-methylbenzamide (PubChem CID 80966287) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-bromo-N-[1-(furan-2-yl)ethyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(furan-2-yl)ethyl]-5-methylbenzamide
PubChem CID80966287
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name2-bromo-N-[1-(furan-2-yl)ethyl]-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NC(C)c2ccco2)c1
InChIInChI=1S/C14H14BrNO2/c1-9-5-6-12(15)11(8-9)14(17)16-10(2)13-4-3-7-18-13/h3-8,10H,1-2H3,(H,16,17)
InChIKeyKNRBRMSQFOUIAB-UHFFFAOYSA-N
XLogP3.84
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-N-[1-(furan-2-yl)ethyl]-5-methylbenzamide
CID 62509162
2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide
CID 81110213
4-bromo-N-[1-(furan-2-yl)ethyl]-3-hydroxybenzamide
CID 103871268
2-bromo-5-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 80958201
4-bromo-3-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 80965940
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-5-methylbenzamide
CID 171385167
N-(1-amino-1-oxopropan-2-yl)-2-bromo-5-methylbenzamide
CID 80980301
4,5-dibromo-N-[1-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 17480059
2-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 18116836
N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8918532
methyl 2-[(2-bromo-5-methylbenzoyl)amino]propanoate
CID 81109488
N-[(1S)-1-(furan-2-yl)ethyl]-2-(methylamino)benzamide
CID 81399463

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(furan-2-yl)ethyl]-5-methylbenzamide?
The IUPAC name of 2-bromo-N-[1-(furan-2-yl)ethyl]-5-methylbenzamide (CID 80966287) is 2-bromo-N-[1-(furan-2-yl)ethyl]-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[1-(furan-2-yl)ethyl]-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-[1-(furan-2-yl)ethyl]-5-methylbenzamide is Cc1ccc(Br)c(C(=O)NC(C)c2ccco2)c1.
What is the InChIKey of 2-bromo-N-[1-(furan-2-yl)ethyl]-5-methylbenzamide?
The InChIKey is KNRBRMSQFOUIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-9-5-6-12(15)11(8-9)14(17)16-10(2)13-4-3-7-18-13/h3-8,10H,1-2H3,(H,16,17).
What are the key properties of 2-bromo-N-[1-(furan-2-yl)ethyl]-5-methylbenzamide?
2-bromo-N-[1-(furan-2-yl)ethyl]-5-methylbenzamide has a molecular weight of 308.18 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(furan-2-yl)ethyl]-5-methylbenzamide is sourced from PubChem (CID 80966287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).