5-(chloromethyl)-N-methyl-N-phenylfuran-2-carboxamide

C13H12ClNO2 — CID 82109894

IUPAC5-(chloromethyl)-N-methyl-N-phenylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(CCl)o1)c1ccccc1
InChIInChI=1S/C13H12ClNO2/c1-15(10-5-3-2-4-6-10)13(16)12-8-7-11(9-14)17-12/h2-8H,9H2,1H3
InChIKeyCBCPOTXRZCJPLK-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.30
Rot. Bonds3

About 5-(chloromethyl)-N-methyl-N-phenylfuran-2-carboxamide

5-(chloromethyl)-N-methyl-N-phenylfuran-2-carboxamide (PubChem CID 82109894) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 5-(chloromethyl)-N-methyl-N-phenylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(chloromethyl)-N-methyl-N-phenylfuran-2-carboxamide
PubChem CID82109894
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name5-(chloromethyl)-N-methyl-N-phenylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(CCl)o1)c1ccccc1
InChIInChI=1S/C13H12ClNO2/c1-15(10-5-3-2-4-6-10)13(16)12-8-7-11(9-14)17-12/h2-8H,9H2,1H3
InChIKeyCBCPOTXRZCJPLK-UHFFFAOYSA-N
XLogP3.30
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N,5-N-dimethyl-2-N,5-N-diphenylfuran-2,5-dicarboxamide
CID 154862775
N-methyl-5-(phenoxymethyl)-N-phenylfuran-2-carboxamide
CID 31529020
5-ethyl-N-methyl-N-(4-methylphenyl)furan-2-carboxamide
CID 52850973
N-tert-butyl-5-(chloromethyl)-N-ethylfuran-2-carboxamide
CID 82108694
5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
CID 82110625
5-(4-amino-2-chlorophenyl)-N-methyl-N-phenylfuran-2-carboxamide
CID 91679615
N-methyl-N-phenyl-4-propylbenzamide
CID 47719630
N-benzyl-N-(2-chloroethyl)-5-ethylfuran-2-carboxamide
CID 79084049
1-[5-(chloromethyl)furan-2-yl]-N,N-dimethylmethanamine;hypochlorous acid
CID 160653099
5-(chloromethyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide
CID 82109245
2-[5-(chloromethyl)furan-2-yl]acetic acid
CID 174376402
5-(methoxymethyl)-N-[3-(N-methylanilino)propyl]furan-2-carboxamide
CID 78833523

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-methyl-N-phenylfuran-2-carboxamide?
The IUPAC name of 5-(chloromethyl)-N-methyl-N-phenylfuran-2-carboxamide (CID 82109894) is 5-(chloromethyl)-N-methyl-N-phenylfuran-2-carboxamide.
What is the SMILES notation for 5-(chloromethyl)-N-methyl-N-phenylfuran-2-carboxamide?
The canonical SMILES for 5-(chloromethyl)-N-methyl-N-phenylfuran-2-carboxamide is CN(C(=O)c1ccc(CCl)o1)c1ccccc1.
What is the InChIKey of 5-(chloromethyl)-N-methyl-N-phenylfuran-2-carboxamide?
The InChIKey is CBCPOTXRZCJPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-15(10-5-3-2-4-6-10)13(16)12-8-7-11(9-14)17-12/h2-8H,9H2,1H3.
What are the key properties of 5-(chloromethyl)-N-methyl-N-phenylfuran-2-carboxamide?
5-(chloromethyl)-N-methyl-N-phenylfuran-2-carboxamide has a molecular weight of 249.70 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-methyl-N-phenylfuran-2-carboxamide is sourced from PubChem (CID 82109894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).