N-(2-bromo-5-chloro-4-methylphenyl)-2-ethylfuran-3-carboxamide

C14H13BrClNO2 — CID 114103078

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-2-ethylfuran-3-carboxamide
SMILESCCc1occc1C(=O)Nc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C14H13BrClNO2/c1-3-13-9(4-5-19-13)14(18)17-12-7-11(16)8(2)6-10(12)15/h4-7H,3H2,1-2H3,(H,17,18)
InChIKeyMJJHEPXDTOKDTF-UHFFFAOYSA-N
MW342.62 g/mol
LogP4.82
Rot. Bonds3

About N-(2-bromo-5-chloro-4-methylphenyl)-2-ethylfuran-3-carboxamide

N-(2-bromo-5-chloro-4-methylphenyl)-2-ethylfuran-3-carboxamide (PubChem CID 114103078) has the molecular formula C14H13BrClNO2 and a molecular weight of 342.62 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-2-ethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-2-ethylfuran-3-carboxamide
PubChem CID114103078
Molecular FormulaC14H13BrClNO2
Molecular Weight342.62 g/mol
Exact Mass340.98
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-2-ethylfuran-3-carboxamide
SMILESCCc1occc1C(=O)Nc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C14H13BrClNO2/c1-3-13-9(4-5-19-13)14(18)17-12-7-11(16)8(2)6-10(12)15/h4-7H,3H2,1-2H3,(H,17,18)
InChIKeyMJJHEPXDTOKDTF-UHFFFAOYSA-N
XLogP4.82
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 ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-(5-iodo-2-methylphenyl)furan-3-carboxamide
CID 114150518
N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 104724000
N-(5-bromo-4-methyl-2-pyridinyl)-2-ethylfuran-3-carboxamide
CID 114103071
N-(2-bromo-5-chloro-4-methylphenyl)-2,5-dichloropyridine-4-carboxamide
CID 114918857
2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide
CID 104724173
N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide
CID 104723165
N-(2-bromo-5-chloro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105381565
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 104723857
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 113445582
4-(aminomethyl)-N-(2-bromo-5-chloro-4-methylphenyl)benzamide
CID 104723637
3-(2-bromo-5-chloro-4-methylphenyl)-1,1-diethylurea
CID 104724253
N-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 81271612

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-2-ethylfuran-3-carboxamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-2-ethylfuran-3-carboxamide (CID 114103078) is N-(2-bromo-5-chloro-4-methylphenyl)-2-ethylfuran-3-carboxamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-2-ethylfuran-3-carboxamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-2-ethylfuran-3-carboxamide is CCc1occc1C(=O)Nc1cc(Cl)c(C)cc1Br.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-2-ethylfuran-3-carboxamide?
The InChIKey is MJJHEPXDTOKDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2/c1-3-13-9(4-5-19-13)14(18)17-12-7-11(16)8(2)6-10(12)15/h4-7H,3H2,1-2H3,(H,17,18).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-2-ethylfuran-3-carboxamide?
N-(2-bromo-5-chloro-4-methylphenyl)-2-ethylfuran-3-carboxamide has a molecular weight of 342.62 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)-2-ethylfuran-3-carboxamide is sourced from PubChem (CID 114103078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).