N-(2-bromo-5-methylphenyl)-2-chlorofuran-3-carboxamide

C12H9BrClNO2 — CID 106685098

IUPACN-(2-bromo-5-methylphenyl)-2-chlorofuran-3-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2ccoc2Cl)c1
InChIInChI=1S/C12H9BrClNO2/c1-7-2-3-9(13)10(6-7)15-12(16)8-4-5-17-11(8)14/h2-6H,1H3,(H,15,16)
InChIKeyAEKHURGDCAIIQQ-UHFFFAOYSA-N
MW314.57 g/mol
LogP4.26
Rot. Bonds2

About N-(2-bromo-5-methylphenyl)-2-chlorofuran-3-carboxamide

N-(2-bromo-5-methylphenyl)-2-chlorofuran-3-carboxamide (PubChem CID 106685098) has the molecular formula C12H9BrClNO2 and a molecular weight of 314.57 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-2-chlorofuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-2-chlorofuran-3-carboxamide
PubChem CID106685098
Molecular FormulaC12H9BrClNO2
Molecular Weight314.57 g/mol
Exact Mass312.95
IUPAC NameN-(2-bromo-5-methylphenyl)-2-chlorofuran-3-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2ccoc2Cl)c1
InChIInChI=1S/C12H9BrClNO2/c1-7-2-3-9(13)10(6-7)15-12(16)8-4-5-17-11(8)14/h2-6H,1H3,(H,15,16)
InChIKeyAEKHURGDCAIIQQ-UHFFFAOYSA-N
XLogP4.26
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.57
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-methylbenzoate
CID 106685894
N-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 81271612
N-(3-bromo-4-pyridinyl)-2-chlorofuran-3-carboxamide
CID 106685097
2-bromo-N-(2-bromo-5-chlorophenyl)-5-methylbenzamide
CID 81270262
N-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 82757101
N-(2-bromo-5-chlorophenyl)-4-methyl-2-(methylamino)benzamide
CID 81275377
2-chloro-N-(4-methyl-2-propoxyphenyl)furan-3-carboxamide
CID 106685527
5-amino-N-(2-bromo-5-methylphenyl)-2,3-dichlorobenzamide
CID 107185700
N-(2-bromo-5-methylphenyl)-5-chloro-2-methoxybenzamide
CID 82707312
N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzamide
CID 82756818
N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide
CID 82706830
2-chloro-N-(2,5-difluoro-4-methylphenyl)furan-3-carboxamide
CID 106687388

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-2-chlorofuran-3-carboxamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-2-chlorofuran-3-carboxamide (CID 106685098) is N-(2-bromo-5-methylphenyl)-2-chlorofuran-3-carboxamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-2-chlorofuran-3-carboxamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-2-chlorofuran-3-carboxamide is Cc1ccc(Br)c(NC(=O)c2ccoc2Cl)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-2-chlorofuran-3-carboxamide?
The InChIKey is AEKHURGDCAIIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO2/c1-7-2-3-9(13)10(6-7)15-12(16)8-4-5-17-11(8)14/h2-6H,1H3,(H,15,16).
What are the key properties of N-(2-bromo-5-methylphenyl)-2-chlorofuran-3-carboxamide?
N-(2-bromo-5-methylphenyl)-2-chlorofuran-3-carboxamide has a molecular weight of 314.57 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-2-chlorofuran-3-carboxamide is sourced from PubChem (CID 106685098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).