N-chlorofuran-2-carboxamide

C5H4ClNO2 — CID 18537247

IUPACN-chlorofuran-2-carboxamide
SMILESO=C(NCl)c1ccco1
InChIInChI=1S/C5H4ClNO2/c6-7-5(8)4-2-1-3-9-4/h1-3H,(H,7,8)
InChIKeyJLQFDZRICPYXTC-UHFFFAOYSA-N
MW145.54 g/mol
LogP1.16
Rot. Bonds1

About N-chlorofuran-2-carboxamide

N-chlorofuran-2-carboxamide (PubChem CID 18537247) has the molecular formula C5H4ClNO2 and a molecular weight of 145.54 g/mol. Its IUPAC name is N-chlorofuran-2-carboxamide.

Molecular Properties

Compound NameN-chlorofuran-2-carboxamide
PubChem CID18537247
Molecular FormulaC5H4ClNO2
Molecular Weight145.54 g/mol
Exact Mass144.99
IUPAC NameN-chlorofuran-2-carboxamide
SMILESO=C(NCl)c1ccco1
InChIInChI=1S/C5H4ClNO2/c6-7-5(8)4-2-1-3-9-4/h1-3H,(H,7,8)
InChIKeyJLQFDZRICPYXTC-UHFFFAOYSA-N
XLogP1.16
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.54
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-chlorofuran-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

N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
furan-2-carboxylic acid;silver
CID 87285311
N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159
N-(ethylcarbamoyl)furan-2-carboxamide
CID 131178690
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N'-(4-chlorophenyl)furan-2-carbohydrazide
CID 3043690
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
N-(diaminomethylideneamino)furan-2-carboxamide
CID 15761647
methyl N-(furan-2-carbonylamino)carbamate
CID 909545
N-(2-hydroxyphenyl)furan-2-carboxamide
CID 761889
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
N-[(E)-prop-1-enyl]furan-2-carboxamide
CID 131242879

Frequently Asked Questions

What is the IUPAC name of N-chlorofuran-2-carboxamide?
The IUPAC name of N-chlorofuran-2-carboxamide (CID 18537247) is N-chlorofuran-2-carboxamide.
What is the SMILES notation for N-chlorofuran-2-carboxamide?
The canonical SMILES for N-chlorofuran-2-carboxamide is O=C(NCl)c1ccco1.
What is the InChIKey of N-chlorofuran-2-carboxamide?
The InChIKey is JLQFDZRICPYXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO2/c6-7-5(8)4-2-1-3-9-4/h1-3H,(H,7,8).
What are the key properties of N-chlorofuran-2-carboxamide?
N-chlorofuran-2-carboxamide has a molecular weight of 145.54 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chlorofuran-2-carboxamide is sourced from PubChem (CID 18537247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).