N-chlorofuran-3-carboxamide

C5H4ClNO2 — CID 144607311

IUPACN-chlorofuran-3-carboxamide
SMILESO=C(NCl)c1ccoc1
InChIInChI=1S/C5H4ClNO2/c6-7-5(8)4-1-2-9-3-4/h1-3H,(H,7,8)
InChIKeyFQCXQRGPDQAMOT-UHFFFAOYSA-N
MW145.54 g/mol
LogP1.16
Rot. Bonds1

About N-chlorofuran-3-carboxamide

N-chlorofuran-3-carboxamide (PubChem CID 144607311) has the molecular formula C5H4ClNO2 and a molecular weight of 145.54 g/mol. Its IUPAC name is N-chlorofuran-3-carboxamide.

Molecular Properties

Compound NameN-chlorofuran-3-carboxamide
PubChem CID144607311
Molecular FormulaC5H4ClNO2
Molecular Weight145.54 g/mol
Exact Mass144.99
IUPAC NameN-chlorofuran-3-carboxamide
SMILESO=C(NCl)c1ccoc1
InChIInChI=1S/C5H4ClNO2/c6-7-5(8)4-1-2-9-3-4/h1-3H,(H,7,8)
InChIKeyFQCXQRGPDQAMOT-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'}

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Related Compounds

N-carbamoylfuran-3-carboxamide
CID 54444166
N-methoxyfuran-3-carboxamide
CID 60701103
N-(methylideneamino)furan-3-carboxamide
CID 130444128
N-cyclopropylfuran-3-carboxamide
CID 60698418
tert-butyl N-(furan-3-carbonyl)carbamate
CID 176560288
1,4-dioxocine-6-carbonyl chloride
CID 12857464
N-(4-cyanophenyl)furan-3-carboxamide
CID 24701301
furan-3-carboxylic acid;dihydrochloride
CID 141114987
2-(furan-3-carbonylamino)-2-methylpropanoic acid
CID 61262985
N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 64997031
azanium furan-3-carboxylate
CID 176901239
N-(4-amino-2,2-dimethylbutyl)furan-3-carboxamide
CID 106139606

Frequently Asked Questions

What is the IUPAC name of N-chlorofuran-3-carboxamide?
The IUPAC name of N-chlorofuran-3-carboxamide (CID 144607311) is N-chlorofuran-3-carboxamide.
What is the SMILES notation for N-chlorofuran-3-carboxamide?
The canonical SMILES for N-chlorofuran-3-carboxamide is O=C(NCl)c1ccoc1.
What is the InChIKey of N-chlorofuran-3-carboxamide?
The InChIKey is FQCXQRGPDQAMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO2/c6-7-5(8)4-1-2-9-3-4/h1-3H,(H,7,8).
What are the key properties of N-chlorofuran-3-carboxamide?
N-chlorofuran-3-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-3-carboxamide is sourced from PubChem (CID 144607311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).