5-chloro-N-[(3,4-difluorophenyl)methyl]furan-2-carboxamide

C12H8ClF2NO2 — CID 103612091

IUPAC5-chloro-N-[(3,4-difluorophenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1ccc(Cl)o1
InChIInChI=1S/C12H8ClF2NO2/c13-11-4-3-10(18-11)12(17)16-6-7-1-2-8(14)9(15)5-7/h1-5H,6H2,(H,16,17)
InChIKeyHKLPWFCIJQCNSB-UHFFFAOYSA-N
MW271.65 g/mol
LogP3.14
Rot. Bonds3

About 5-chloro-N-[(3,4-difluorophenyl)methyl]furan-2-carboxamide

5-chloro-N-[(3,4-difluorophenyl)methyl]furan-2-carboxamide (PubChem CID 103612091) has the molecular formula C12H8ClF2NO2 and a molecular weight of 271.65 g/mol. Its IUPAC name is 5-chloro-N-[(3,4-difluorophenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3,4-difluorophenyl)methyl]furan-2-carboxamide
PubChem CID103612091
Molecular FormulaC12H8ClF2NO2
Molecular Weight271.65 g/mol
Exact Mass271.02
IUPAC Name5-chloro-N-[(3,4-difluorophenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1ccc(Cl)o1
InChIInChI=1S/C12H8ClF2NO2/c13-11-4-3-10(18-11)12(17)16-6-7-1-2-8(14)9(15)5-7/h1-5H,6H2,(H,16,17)
InChIKeyHKLPWFCIJQCNSB-UHFFFAOYSA-N
XLogP3.14
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.65
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-N-[(3,4-difluorophenyl)methyl]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-chloro-N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]furan-2-carboxamide
CID 55877945
N,N'-bis[(3,4-difluorophenyl)methyl]oxamide
CID 126500404
5-chloro-N-[(3,4-difluorophenyl)methyl]-2-hydroxybenzamide
CID 60739890
4-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81227434
3-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 66482974
5-chloro-N-(1H-pyrrol-3-ylmethyl)furan-2-carboxamide
CID 106385033
5-chloro-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide
CID 32755354
5-chloro-N-[[4-(sulfamoylmethyl)phenyl]methyl]furan-2-carboxamide
CID 32766645
5-chloro-N-[2-(3,5-difluorophenyl)ethyl]furan-2-carboxamide
CID 113228849
5-chloro-N-[[4-(ethylcarbamoyl)phenyl]methyl]furan-2-carboxamide
CID 86990026
5-bromo-N-[2-(3,4-difluorophenyl)ethyl]furan-2-carboxamide
CID 110795401
5-bromo-4-chloro-N-[(3,4-difluorophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 171463750

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3,4-difluorophenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[(3,4-difluorophenyl)methyl]furan-2-carboxamide (CID 103612091) is 5-chloro-N-[(3,4-difluorophenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3,4-difluorophenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(3,4-difluorophenyl)methyl]furan-2-carboxamide is O=C(NCc1ccc(F)c(F)c1)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-[(3,4-difluorophenyl)methyl]furan-2-carboxamide?
The InChIKey is HKLPWFCIJQCNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NO2/c13-11-4-3-10(18-11)12(17)16-6-7-1-2-8(14)9(15)5-7/h1-5H,6H2,(H,16,17).
What are the key properties of 5-chloro-N-[(3,4-difluorophenyl)methyl]furan-2-carboxamide?
5-chloro-N-[(3,4-difluorophenyl)methyl]furan-2-carboxamide has a molecular weight of 271.65 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3,4-difluorophenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 103612091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).