5-(chloromethyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide

C14H14ClNO2 — CID 82109245

IUPAC5-(chloromethyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(CCl)o1
InChIInChI=1S/C14H14ClNO2/c1-9-4-3-5-10(2)13(9)16-14(17)12-7-6-11(8-15)18-12/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyZTXTVAFWWGDIKD-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.89
Rot. Bonds3

About 5-(chloromethyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide

5-(chloromethyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide (PubChem CID 82109245) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 5-(chloromethyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(chloromethyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide
PubChem CID82109245
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name5-(chloromethyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(CCl)o1
InChIInChI=1S/C14H14ClNO2/c1-9-4-3-5-10(2)13(9)16-14(17)12-7-6-11(8-15)18-12/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyZTXTVAFWWGDIKD-UHFFFAOYSA-N
XLogP3.89
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(chloromethyl)-N-(3-hydroxyphenyl)furan-2-carboxamide
CID 82110103
N-(2,6-dimethylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19465597
N-(2-hydroxy-6-methylphenyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21047425
N,5-bis(2,6-dimethylphenyl)furan-2-carboxamide
CID 54586462
N-(2-hydroxy-6-methylphenyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047427
5-(chloromethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide
CID 82109082
5-[(2,6-dimethylanilino)methyl]furan-2-carboxylic acid
CID 82096130
5-[(2-methylphenoxy)methyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 6460539
5-acetamido-N-(2-ethyl-6-methylphenyl)furan-2-carboxamide
CID 110699909
5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide
CID 27167042
4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 43333467
N-(2,6-dichlorophenyl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452643

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide?
The IUPAC name of 5-(chloromethyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide (CID 82109245) is 5-(chloromethyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(chloromethyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(chloromethyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide is Cc1cccc(C)c1NC(=O)c1ccc(CCl)o1.
What is the InChIKey of 5-(chloromethyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide?
The InChIKey is ZTXTVAFWWGDIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-9-4-3-5-10(2)13(9)16-14(17)12-7-6-11(8-15)18-12/h3-7H,8H2,1-2H3,(H,16,17).
What are the key properties of 5-(chloromethyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide?
5-(chloromethyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide has a molecular weight of 263.72 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 82109245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).