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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Related Compounds

1-dibenzofuran-4-ylethanone
CID 15691981
N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)dibenzofuran-4-carboxamide
CID 153386321
2-[(2,4-dichlorophenyl)methoxy]-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 124669662
2,4-dichloro-N-pentan-3-ylbenzamide
CID 884996
[1-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 105200254
3-[(2,4-dichlorophenyl)methylamino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide
CID 110826674
7-chloro-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 147340870
ethyl 3-[(2,4-dichlorobenzoyl)amino]-1-benzofuran-2-carboxylate
CID 7117042
(2,4-dichlorophenyl)methyl N-(2-chlorobenzoyl)carbamate
CID 2798263
methyl 4-(2,4-dichlorophenyl)-3-(ethylamino)butanoate
CID 82351330
5-chloronaphtho[1,2-b][1]benzofuran
CID 163580167
N-[(4-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 1226021

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).