N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-fluorobenzamide

C18H13ClFNO2 — CID 54858020

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-fluorobenzamide
SMILESO=C(NCc1ccc(-c2ccc(Cl)cc2)o1)c1ccc(F)cc1
InChIInChI=1S/C18H13ClFNO2/c19-14-5-1-12(2-6-14)17-10-9-16(23-17)11-21-18(22)13-3-7-15(20)8-4-13/h1-10H,11H2,(H,21,22)
InChIKeyAYPVFFUGYZEWHD-UHFFFAOYSA-N
MW329.76 g/mol
LogP4.67
Rot. Bonds4

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-fluorobenzamide

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-fluorobenzamide (PubChem CID 54858020) has the molecular formula C18H13ClFNO2 and a molecular weight of 329.76 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-fluorobenzamide
PubChem CID54858020
Molecular FormulaC18H13ClFNO2
Molecular Weight329.76 g/mol
Exact Mass329.06
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-fluorobenzamide
SMILESO=C(NCc1ccc(-c2ccc(Cl)cc2)o1)c1ccc(F)cc1
InChIInChI=1S/C18H13ClFNO2/c19-14-5-1-12(2-6-14)17-10-9-16(23-17)11-21-18(22)13-3-7-15(20)8-4-13/h1-10H,11H2,(H,21,22)
InChIKeyAYPVFFUGYZEWHD-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

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-6-methylpyridine-3-carboxamide
CID 31121475
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dimethoxybenzamide
CID 24672781
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731652
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)benzamide
CID 46674267
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]cyclopropanecarboxamide
CID 36895021
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methylsulfamoyl)benzamide
CID 36897387
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methanesulfonamido)benzamide
CID 36897993
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 77085716
N-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 9120196
4-chloro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide
CID 16571962

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-fluorobenzamide?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-fluorobenzamide (CID 54858020) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-fluorobenzamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-fluorobenzamide is O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)c1ccc(F)cc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-fluorobenzamide?
The InChIKey is AYPVFFUGYZEWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO2/c19-14-5-1-12(2-6-14)17-10-9-16(23-17)11-21-18(22)13-3-7-15(20)8-4-13/h1-10H,11H2,(H,21,22).
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-fluorobenzamide?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-fluorobenzamide 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 N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 54858020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).