N-[4-chloro-2-(2-chlorobenzoyl)phenyl]furan-2-carboxamide

C18H11Cl2NO3 — CID 565786

IUPACN-[4-chloro-2-(2-chlorobenzoyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1ccco1
InChIInChI=1S/C18H11Cl2NO3/c19-11-7-8-15(21-18(23)16-6-3-9-24-16)13(10-11)17(22)12-4-1-2-5-14(12)20/h1-10H,(H,21,23)
InChIKeyIXGQAIRMONSNRD-UHFFFAOYSA-N
MW360.20 g/mol
LogP5.07
Rot. Bonds4

About N-[4-chloro-2-(2-chlorobenzoyl)phenyl]furan-2-carboxamide

N-[4-chloro-2-(2-chlorobenzoyl)phenyl]furan-2-carboxamide (PubChem CID 565786) has the molecular formula C18H11Cl2NO3 and a molecular weight of 360.20 g/mol. Its IUPAC name is N-[4-chloro-2-(2-chlorobenzoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(2-chlorobenzoyl)phenyl]furan-2-carboxamide
PubChem CID565786
Molecular FormulaC18H11Cl2NO3
Molecular Weight360.20 g/mol
Exact Mass359.01
IUPAC NameN-[4-chloro-2-(2-chlorobenzoyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1ccco1
InChIInChI=1S/C18H11Cl2NO3/c19-11-7-8-15(21-18(23)16-6-3-9-24-16)13(10-11)17(22)12-4-1-2-5-14(12)20/h1-10H,(H,21,23)
InChIKeyIXGQAIRMONSNRD-UHFFFAOYSA-N
XLogP5.07
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.20
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(2-chlorobenzoyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-chloro-2-(2-chlorobenzoyl)phenyl]furan-2-carboxamide (CID 565786) is N-[4-chloro-2-(2-chlorobenzoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(2-chlorobenzoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-chloro-2-(2-chlorobenzoyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1ccco1.
What is the InChIKey of N-[4-chloro-2-(2-chlorobenzoyl)phenyl]furan-2-carboxamide?
The InChIKey is IXGQAIRMONSNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2NO3/c19-11-7-8-15(21-18(23)16-6-3-9-24-16)13(10-11)17(22)12-4-1-2-5-14(12)20/h1-10H,(H,21,23).
What are the key properties of N-[4-chloro-2-(2-chlorobenzoyl)phenyl]furan-2-carboxamide?
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]furan-2-carboxamide has a molecular weight of 360.20 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(2-chlorobenzoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 565786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).