N-[(4-chlorophenyl)methyl]-5-(4-methylnaphthalen-1-yl)furan-2-carboxamide

C23H18ClNO2 — CID 6095333

IUPACN-[(4-chlorophenyl)methyl]-5-(4-methylnaphthalen-1-yl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NCc3ccc(Cl)cc3)o2)c2ccccc12
InChIInChI=1S/C23H18ClNO2/c1-15-6-11-20(19-5-3-2-4-18(15)19)21-12-13-22(27-21)23(26)25-14-16-7-9-17(24)10-8-16/h2-13H,14H2,1H3,(H,25,26)
InChIKeyWGGCYQHFLWUGKK-UHFFFAOYSA-N
MW375.86 g/mol
LogP5.99
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-5-(4-methylnaphthalen-1-yl)furan-2-carboxamide

N-[(4-chlorophenyl)methyl]-5-(4-methylnaphthalen-1-yl)furan-2-carboxamide (PubChem CID 6095333) has the molecular formula C23H18ClNO2 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-(4-methylnaphthalen-1-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-(4-methylnaphthalen-1-yl)furan-2-carboxamide
PubChem CID6095333
Molecular FormulaC23H18ClNO2
Molecular Weight375.86 g/mol
Exact Mass375.10
IUPAC NameN-[(4-chlorophenyl)methyl]-5-(4-methylnaphthalen-1-yl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NCc3ccc(Cl)cc3)o2)c2ccccc12
InChIInChI=1S/C23H18ClNO2/c1-15-6-11-20(19-5-3-2-4-18(15)19)21-12-13-22(27-21)23(26)25-14-16-7-9-17(24)10-8-16/h2-13H,14H2,1H3,(H,25,26)
InChIKeyWGGCYQHFLWUGKK-UHFFFAOYSA-N
XLogP5.99
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.86
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-(4-methylnaphthalen-1-yl)furan-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-(4-methylnaphthalen-1-yl)furan-2-carboxamide (CID 6095333) is N-[(4-chlorophenyl)methyl]-5-(4-methylnaphthalen-1-yl)furan-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-(4-methylnaphthalen-1-yl)furan-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-(4-methylnaphthalen-1-yl)furan-2-carboxamide is Cc1ccc(-c2ccc(C(=O)NCc3ccc(Cl)cc3)o2)c2ccccc12.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-(4-methylnaphthalen-1-yl)furan-2-carboxamide?
The InChIKey is WGGCYQHFLWUGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO2/c1-15-6-11-20(19-5-3-2-4-18(15)19)21-12-13-22(27-21)23(26)25-14-16-7-9-17(24)10-8-16/h2-13H,14H2,1H3,(H,25,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-(4-methylnaphthalen-1-yl)furan-2-carboxamide?
N-[(4-chlorophenyl)methyl]-5-(4-methylnaphthalen-1-yl)furan-2-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-(4-methylnaphthalen-1-yl)furan-2-carboxamide is sourced from PubChem (CID 6095333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).