2-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide

C14H13BrClNO2 — CID 103764047

IUPAC2-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(Cl)cc2Br)o1
InChIInChI=1S/C14H13BrClNO2/c1-8-3-6-13(19-8)9(2)17-14(18)11-5-4-10(16)7-12(11)15/h3-7,9H,1-2H3,(H,17,18)
InChIKeyIAEVHGSNWQVHFG-UHFFFAOYSA-N
MW342.62 g/mol
LogP4.49
Rot. Bonds3

About 2-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide

2-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide (PubChem CID 103764047) has the molecular formula C14H13BrClNO2 and a molecular weight of 342.62 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
PubChem CID103764047
Molecular FormulaC14H13BrClNO2
Molecular Weight342.62 g/mol
Exact Mass340.98
IUPAC Name2-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(Cl)cc2Br)o1
InChIInChI=1S/C14H13BrClNO2/c1-8-3-6-13(19-8)9(2)17-14(18)11-5-4-10(16)7-12(11)15/h3-7,9H,1-2H3,(H,17,18)
InChIKeyIAEVHGSNWQVHFG-UHFFFAOYSA-N
XLogP4.49
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2-bromo-4-chlorobenzoyl)amino]propanoic acid
CID 103821374
2-bromo-N-[1-(3-bromophenyl)ethyl]-4-chlorobenzamide
CID 107987920
2-bromo-4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 113257289
N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide
CID 103763560
2-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 81263735
2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-5-methylsulfanylbenzamide
CID 47110574
2-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
CID 103825446
2-bromo-4-chloro-N-(3-methylpentan-2-yl)benzamide
CID 103764241
4-fluoro-2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 47220104
2-bromo-4-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 114024530
1-(4-chlorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55585824
2-bromo-5-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 81271203

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide (CID 103764047) is 2-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide is Cc1ccc(C(C)NC(=O)c2ccc(Cl)cc2Br)o1.
What is the InChIKey of 2-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
The InChIKey is IAEVHGSNWQVHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2/c1-8-3-6-13(19-8)9(2)17-14(18)11-5-4-10(16)7-12(11)15/h3-7,9H,1-2H3,(H,17,18).
What are the key properties of 2-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
2-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide has a molecular weight of 342.62 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide is sourced from PubChem (CID 103764047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).