N-(2-benzoyl-4-chlorophenyl)furan-2-carboxamide

C18H12ClNO3 — CID 669415

IUPACN-(2-benzoyl-4-chlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccco1
InChIInChI=1S/C18H12ClNO3/c19-13-8-9-15(20-18(22)16-7-4-10-23-16)14(11-13)17(21)12-5-2-1-3-6-12/h1-11H,(H,20,22)
InChIKeyDYOHSZKFTCKMFZ-UHFFFAOYSA-N
MW325.75 g/mol
LogP4.42
Rot. Bonds4

About N-(2-benzoyl-4-chlorophenyl)furan-2-carboxamide

N-(2-benzoyl-4-chlorophenyl)furan-2-carboxamide (PubChem CID 669415) has the molecular formula C18H12ClNO3 and a molecular weight of 325.75 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)furan-2-carboxamide
PubChem CID669415
Molecular FormulaC18H12ClNO3
Molecular Weight325.75 g/mol
Exact Mass325.05
IUPAC NameN-(2-benzoyl-4-chlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccco1
InChIInChI=1S/C18H12ClNO3/c19-13-8-9-15(20-18(22)16-7-4-10-23-16)14(11-13)17(21)12-5-2-1-3-6-12/h1-11H,(H,20,22)
InChIKeyDYOHSZKFTCKMFZ-UHFFFAOYSA-N
XLogP4.42
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)furan-2-carboxamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)furan-2-carboxamide (CID 669415) is N-(2-benzoyl-4-chlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)furan-2-carboxamide is O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccco1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)furan-2-carboxamide?
The InChIKey is DYOHSZKFTCKMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNO3/c19-13-8-9-15(20-18(22)16-7-4-10-23-16)14(11-13)17(21)12-5-2-1-3-6-12/h1-11H,(H,20,22).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)furan-2-carboxamide?
N-(2-benzoyl-4-chlorophenyl)furan-2-carboxamide has a molecular weight of 325.75 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 669415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).