N-benzyl-3-[5-(4-chlorophenyl)furan-2-yl]propanamide

C20H18ClNO2 — CID 22587430

IUPACN-benzyl-3-[5-(4-chlorophenyl)furan-2-yl]propanamide
SMILESO=C(CCc1ccc(-c2ccc(Cl)cc2)o1)NCc1ccccc1
InChIInChI=1S/C20H18ClNO2/c21-17-8-6-16(7-9-17)19-12-10-18(24-19)11-13-20(23)22-14-15-4-2-1-3-5-15/h1-10,12H,11,13-14H2,(H,22,23)
InChIKeyUHNBLWIMVJUHTO-UHFFFAOYSA-N
MW339.82 g/mol
LogP4.85
Rot. Bonds6

About N-benzyl-3-[5-(4-chlorophenyl)furan-2-yl]propanamide

N-benzyl-3-[5-(4-chlorophenyl)furan-2-yl]propanamide (PubChem CID 22587430) has the molecular formula C20H18ClNO2 and a molecular weight of 339.82 g/mol. Its IUPAC name is N-benzyl-3-[5-(4-chlorophenyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[5-(4-chlorophenyl)furan-2-yl]propanamide
PubChem CID22587430
Molecular FormulaC20H18ClNO2
Molecular Weight339.82 g/mol
Exact Mass339.10
IUPAC NameN-benzyl-3-[5-(4-chlorophenyl)furan-2-yl]propanamide
SMILESO=C(CCc1ccc(-c2ccc(Cl)cc2)o1)NCc1ccccc1
InChIInChI=1S/C20H18ClNO2/c21-17-8-6-16(7-9-17)19-12-10-18(24-19)11-13-20(23)22-14-15-4-2-1-3-5-15/h1-10,12H,11,13-14H2,(H,22,23)
InChIKeyUHNBLWIMVJUHTO-UHFFFAOYSA-N
XLogP4.85
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[5-(4-chlorophenyl)furan-2-yl]propanamide?
The IUPAC name of N-benzyl-3-[5-(4-chlorophenyl)furan-2-yl]propanamide (CID 22587430) is N-benzyl-3-[5-(4-chlorophenyl)furan-2-yl]propanamide.
What is the SMILES notation for N-benzyl-3-[5-(4-chlorophenyl)furan-2-yl]propanamide?
The canonical SMILES for N-benzyl-3-[5-(4-chlorophenyl)furan-2-yl]propanamide is O=C(CCc1ccc(-c2ccc(Cl)cc2)o1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[5-(4-chlorophenyl)furan-2-yl]propanamide?
The InChIKey is UHNBLWIMVJUHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2/c21-17-8-6-16(7-9-17)19-12-10-18(24-19)11-13-20(23)22-14-15-4-2-1-3-5-15/h1-10,12H,11,13-14H2,(H,22,23).
What are the key properties of N-benzyl-3-[5-(4-chlorophenyl)furan-2-yl]propanamide?
N-benzyl-3-[5-(4-chlorophenyl)furan-2-yl]propanamide has a molecular weight of 339.82 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[5-(4-chlorophenyl)furan-2-yl]propanamide is sourced from PubChem (CID 22587430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).