5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

C18H13ClFNO2 — CID 9083579

IUPAC5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H13ClFNO2/c19-15-4-2-1-3-14(15)16-9-10-17(23-16)18(22)21-11-12-5-7-13(20)8-6-12/h1-10H,11H2,(H,21,22)
InChIKeyFEQUOUCQLMSBGE-UHFFFAOYSA-N
MW329.76 g/mol
LogP4.67
Rot. Bonds4

About 5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide (PubChem CID 9083579) has the molecular formula C18H13ClFNO2 and a molecular weight of 329.76 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
PubChem CID9083579
Molecular FormulaC18H13ClFNO2
Molecular Weight329.76 g/mol
Exact Mass329.06
IUPAC Name5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H13ClFNO2/c19-15-4-2-1-3-14(15)16-9-10-17(23-16)18(22)21-11-12-5-7-13(20)8-6-12/h1-10H,11H2,(H,21,22)
InChIKeyFEQUOUCQLMSBGE-UHFFFAOYSA-N
XLogP4.67
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.76
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide
CID 9080736
5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
CID 51188744
5-(2-chlorophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
CID 78800704
5-(2-chlorophenyl)-N-propylfuran-2-carboxamide
CID 5262410
N-(4-amino-4-oxobutyl)-5-(2-chlorophenyl)furan-2-carboxamide
CID 56812733
5-(2-chlorophenyl)-N-[2-(ethylamino)ethyl]furan-2-carboxamide
CID 119505945
5-(2-chlorophenyl)-N-(3-fluorophenyl)furan-2-carboxamide
CID 9072315
(2R)-2-amino-3-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]propanoic acid
CID 166627868
5-(2-chlorophenyl)-N-(5-fluoro-2-methylphenyl)furan-2-carboxamide
CID 9077694
2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide
CID 841148
5-(2-chlorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]furan-2-carboxamide
CID 46476619
5-(2-chlorophenyl)-N-[2-(methylamino)propyl]furan-2-carboxamide;hydrochloride
CID 120827077

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide (CID 9083579) is 5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide is O=C(NCc1ccc(F)cc1)c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of 5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The InChIKey is FEQUOUCQLMSBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO2/c19-15-4-2-1-3-14(15)16-9-10-17(23-16)18(22)21-11-12-5-7-13(20)8-6-12/h1-10H,11H2,(H,21,22).
What are the key properties of 5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide has a molecular weight of 329.76 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 9083579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).