N-[1-(2,4-dichlorophenyl)-4-oxopentan-2-yl]dibenzofuran-4-carboxamide

C24H19Cl2NO3 — CID 167588582

IUPACN-[1-(2,4-dichlorophenyl)-4-oxopentan-2-yl]dibenzofuran-4-carboxamide
SMILESCC(=O)CC(Cc1ccc(Cl)cc1Cl)NC(=O)c1cccc2c1oc1ccccc12
InChIInChI=1S/C24H19Cl2NO3/c1-14(28)11-17(12-15-9-10-16(25)13-21(15)26)27-24(29)20-7-4-6-19-18-5-2-3-8-22(18)30-23(19)20/h2-10,13,17H,11-12H2,1H3,(H,27,29)
InChIKeyKZLCBKHJWRFRFI-UHFFFAOYSA-N
MW440.33 g/mol
LogP6.21
Rot. Bonds6

About N-[1-(2,4-dichlorophenyl)-4-oxopentan-2-yl]dibenzofuran-4-carboxamide

N-[1-(2,4-dichlorophenyl)-4-oxopentan-2-yl]dibenzofuran-4-carboxamide (PubChem CID 167588582) has the molecular formula C24H19Cl2NO3 and a molecular weight of 440.33 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)-4-oxopentan-2-yl]dibenzofuran-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)-4-oxopentan-2-yl]dibenzofuran-4-carboxamide
PubChem CID167588582
Molecular FormulaC24H19Cl2NO3
Molecular Weight440.33 g/mol
Exact Mass439.07
IUPAC NameN-[1-(2,4-dichlorophenyl)-4-oxopentan-2-yl]dibenzofuran-4-carboxamide
SMILESCC(=O)CC(Cc1ccc(Cl)cc1Cl)NC(=O)c1cccc2c1oc1ccccc12
InChIInChI=1S/C24H19Cl2NO3/c1-14(28)11-17(12-15-9-10-16(25)13-21(15)26)27-24(29)20-7-4-6-19-18-5-2-3-8-22(18)30-23(19)20/h2-10,13,17H,11-12H2,1H3,(H,27,29)
InChIKeyKZLCBKHJWRFRFI-UHFFFAOYSA-N
XLogP6.21
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.33
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)-4-oxopentan-2-yl]dibenzofuran-4-carboxamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)-4-oxopentan-2-yl]dibenzofuran-4-carboxamide (CID 167588582) is N-[1-(2,4-dichlorophenyl)-4-oxopentan-2-yl]dibenzofuran-4-carboxamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)-4-oxopentan-2-yl]dibenzofuran-4-carboxamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)-4-oxopentan-2-yl]dibenzofuran-4-carboxamide is CC(=O)CC(Cc1ccc(Cl)cc1Cl)NC(=O)c1cccc2c1oc1ccccc12.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)-4-oxopentan-2-yl]dibenzofuran-4-carboxamide?
The InChIKey is KZLCBKHJWRFRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2NO3/c1-14(28)11-17(12-15-9-10-16(25)13-21(15)26)27-24(29)20-7-4-6-19-18-5-2-3-8-22(18)30-23(19)20/h2-10,13,17H,11-12H2,1H3,(H,27,29).
What are the key properties of N-[1-(2,4-dichlorophenyl)-4-oxopentan-2-yl]dibenzofuran-4-carboxamide?
N-[1-(2,4-dichlorophenyl)-4-oxopentan-2-yl]dibenzofuran-4-carboxamide has a molecular weight of 440.33 g/mol, XLogP of 6.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)-4-oxopentan-2-yl]dibenzofuran-4-carboxamide is sourced from PubChem (CID 167588582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).