5-(chloromethyl)-N-(3-hydroxyphenyl)furan-2-carboxamide

C12H10ClNO3 — CID 82110103

IUPAC5-(chloromethyl)-N-(3-hydroxyphenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1ccc(CCl)o1
InChIInChI=1S/C12H10ClNO3/c13-7-10-4-5-11(17-10)12(16)14-8-2-1-3-9(15)6-8/h1-6,15H,7H2,(H,14,16)
InChIKeyWCCPZKWJJNUZBY-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.98
Rot. Bonds3

About 5-(chloromethyl)-N-(3-hydroxyphenyl)furan-2-carboxamide

5-(chloromethyl)-N-(3-hydroxyphenyl)furan-2-carboxamide (PubChem CID 82110103) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is 5-(chloromethyl)-N-(3-hydroxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(chloromethyl)-N-(3-hydroxyphenyl)furan-2-carboxamide
PubChem CID82110103
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Name5-(chloromethyl)-N-(3-hydroxyphenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1ccc(CCl)o1
InChIInChI=1S/C12H10ClNO3/c13-7-10-4-5-11(17-10)12(16)14-8-2-1-3-9(15)6-8/h1-6,15H,7H2,(H,14,16)
InChIKeyWCCPZKWJJNUZBY-UHFFFAOYSA-N
XLogP2.98
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-N-(3-hydroxyphenyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide
CID 19458803
5-(chloromethyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide
CID 82109245
5-[(2-chloro-5-nitrophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide
CID 19459722
5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide
CID 110697812
N-(3-methylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7464174
5-(benzamidomethyl)-N-(3-chlorophenyl)furan-2-carboxamide
CID 22587861
N-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)acetamide
CID 28878488
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
N-(3-cyanophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 9245570
2-(4-amino-3-hydroxyphenyl)-N-(3-hydroxyphenyl)acetamide
CID 69307059
5-[(2,3-dichlorophenoxy)methyl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 19415701
5-[(3-chlorophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide
CID 19446098

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-(3-hydroxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-(chloromethyl)-N-(3-hydroxyphenyl)furan-2-carboxamide (CID 82110103) is 5-(chloromethyl)-N-(3-hydroxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(chloromethyl)-N-(3-hydroxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(chloromethyl)-N-(3-hydroxyphenyl)furan-2-carboxamide is O=C(Nc1cccc(O)c1)c1ccc(CCl)o1.
What is the InChIKey of 5-(chloromethyl)-N-(3-hydroxyphenyl)furan-2-carboxamide?
The InChIKey is WCCPZKWJJNUZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c13-7-10-4-5-11(17-10)12(16)14-8-2-1-3-9(15)6-8/h1-6,15H,7H2,(H,14,16).
What are the key properties of 5-(chloromethyl)-N-(3-hydroxyphenyl)furan-2-carboxamide?
5-(chloromethyl)-N-(3-hydroxyphenyl)furan-2-carboxamide has a molecular weight of 251.67 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-(3-hydroxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 82110103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).