N-(4-chloro-3-fluorophenyl)-5-(methoxymethyl)furan-2-carboxamide

C13H11ClFNO3 — CID 78882500

IUPACN-(4-chloro-3-fluorophenyl)-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(Cl)c(F)c2)o1
InChIInChI=1S/C13H11ClFNO3/c1-18-7-9-3-5-12(19-9)13(17)16-8-2-4-10(14)11(15)6-8/h2-6H,7H2,1H3,(H,16,17)
InChIKeyGJTJQISYFNWDGK-UHFFFAOYSA-N
MW283.69 g/mol
LogP3.47
Rot. Bonds4

About N-(4-chloro-3-fluorophenyl)-5-(methoxymethyl)furan-2-carboxamide

N-(4-chloro-3-fluorophenyl)-5-(methoxymethyl)furan-2-carboxamide (PubChem CID 78882500) has the molecular formula C13H11ClFNO3 and a molecular weight of 283.69 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-5-(methoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-5-(methoxymethyl)furan-2-carboxamide
PubChem CID78882500
Molecular FormulaC13H11ClFNO3
Molecular Weight283.69 g/mol
Exact Mass283.04
IUPAC NameN-(4-chloro-3-fluorophenyl)-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(Cl)c(F)c2)o1
InChIInChI=1S/C13H11ClFNO3/c1-18-7-9-3-5-12(19-9)13(17)16-8-2-4-10(14)11(15)6-8/h2-6H,7H2,1H3,(H,16,17)
InChIKeyGJTJQISYFNWDGK-UHFFFAOYSA-N
XLogP3.47
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.69
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(methoxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 86913717
N-(3,4-dichlorophenyl)-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide
CID 19453113
5-[(4-chloro-3-methylphenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 4605258
N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7341802
N-(3,4-dichlorophenyl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19450784
N-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 30838668
N-(9H-fluoren-2-yl)-5-(methoxymethyl)furan-2-carboxamide
CID 86912034
5-(methoxymethyl)-N-(2-methyl-1H-indol-5-yl)furan-2-carboxamide
CID 86930455
5-[(3-chlorophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide
CID 19446098
N-(3,4-dichlorophenyl)-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19446793
5-(methoxymethyl)-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)furan-2-carboxamide
CID 99705506
5-ethyl-N-(3-fluoro-4-methylphenyl)furan-2-carboxamide
CID 46422285

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-5-(methoxymethyl)furan-2-carboxamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-5-(methoxymethyl)furan-2-carboxamide (CID 78882500) is N-(4-chloro-3-fluorophenyl)-5-(methoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-5-(methoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-5-(methoxymethyl)furan-2-carboxamide is COCc1ccc(C(=O)Nc2ccc(Cl)c(F)c2)o1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-5-(methoxymethyl)furan-2-carboxamide?
The InChIKey is GJTJQISYFNWDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO3/c1-18-7-9-3-5-12(19-9)13(17)16-8-2-4-10(14)11(15)6-8/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of N-(4-chloro-3-fluorophenyl)-5-(methoxymethyl)furan-2-carboxamide?
N-(4-chloro-3-fluorophenyl)-5-(methoxymethyl)furan-2-carboxamide has a molecular weight of 283.69 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-5-(methoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 78882500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).