N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-3-oxo-1H-2-benzofuran-1-carboxamide

C20H17Cl2NO3 — CID 166332653

IUPACN-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-3-oxo-1H-2-benzofuran-1-carboxamide
SMILESO=C1OC(C(=O)NC2(Cc3ccc(Cl)cc3Cl)CCC2)c2ccccc21
InChIInChI=1S/C20H17Cl2NO3/c21-13-7-6-12(16(22)10-13)11-20(8-3-9-20)23-18(24)17-14-4-1-2-5-15(14)19(25)26-17/h1-2,4-7,10,17H,3,8-9,11H2,(H,23,24)
InChIKeyXLXJBVMKVJKEQU-UHFFFAOYSA-N
MW390.27 g/mol
LogP4.49
Rot. Bonds4

About N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-3-oxo-1H-2-benzofuran-1-carboxamide

N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-3-oxo-1H-2-benzofuran-1-carboxamide (PubChem CID 166332653) has the molecular formula C20H17Cl2NO3 and a molecular weight of 390.27 g/mol. Its IUPAC name is N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-3-oxo-1H-2-benzofuran-1-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-3-oxo-1H-2-benzofuran-1-carboxamide
PubChem CID166332653
Molecular FormulaC20H17Cl2NO3
Molecular Weight390.27 g/mol
Exact Mass389.06
IUPAC NameN-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-3-oxo-1H-2-benzofuran-1-carboxamide
SMILESO=C1OC(C(=O)NC2(Cc3ccc(Cl)cc3Cl)CCC2)c2ccccc21
InChIInChI=1S/C20H17Cl2NO3/c21-13-7-6-12(16(22)10-13)11-20(8-3-9-20)23-18(24)17-14-4-1-2-5-15(14)19(25)26-17/h1-2,4-7,10,17H,3,8-9,11H2,(H,23,24)
InChIKeyXLXJBVMKVJKEQU-UHFFFAOYSA-N
XLogP4.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-3-oxo-5,6,7,8-tetrahydro-2H-cinnoline-4-carboxamide
CID 166332681
methyl 6-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]carbamoyl]-4-methoxypyridine-2-carboxylate
CID 166332647
3-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 166332697
2-(6-chloropyrazin-2-yl)oxy-N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]acetamide
CID 166332649
N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-(1-methyl-3-phenylpyrazol-4-yl)oxamide
CID 166332599
N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-pyrazolo[1,5-a]pyrimidin-3-yloxamide
CID 167870668
(2S)-4,4-bis[(2,4-dichlorophenyl)methyl]-2-hydroxyoxepan-3-one;ethane
CID 142549133
methyl 5-[[2-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]amino]-2-oxoacetyl]amino]-2-methylpyridine-3-carboxylate
CID 166332606
2-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62522174
methyl 3-[4-[[2-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]amino]-2-oxoacetyl]amino]phenyl]propanoate
CID 167764169
2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878522
(3S)-3-(2,4-dichloroanilino)-3H-2-benzofuran-1-one
CID 710080

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-3-oxo-1H-2-benzofuran-1-carboxamide?
The IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-3-oxo-1H-2-benzofuran-1-carboxamide (CID 166332653) is N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-3-oxo-1H-2-benzofuran-1-carboxamide.
What is the SMILES notation for N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-3-oxo-1H-2-benzofuran-1-carboxamide?
The canonical SMILES for N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-3-oxo-1H-2-benzofuran-1-carboxamide is O=C1OC(C(=O)NC2(Cc3ccc(Cl)cc3Cl)CCC2)c2ccccc21.
What is the InChIKey of N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-3-oxo-1H-2-benzofuran-1-carboxamide?
The InChIKey is XLXJBVMKVJKEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO3/c21-13-7-6-12(16(22)10-13)11-20(8-3-9-20)23-18(24)17-14-4-1-2-5-15(14)19(25)26-17/h1-2,4-7,10,17H,3,8-9,11H2,(H,23,24).
What are the key properties of N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-3-oxo-1H-2-benzofuran-1-carboxamide?
N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-3-oxo-1H-2-benzofuran-1-carboxamide has a molecular weight of 390.27 g/mol, XLogP of 4.49, 4 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)methyl]cyclobutyl]-3-oxo-1H-2-benzofuran-1-carboxamide is sourced from PubChem (CID 166332653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).