2-chloro-5-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide

C20H20Cl2N2O2 — CID 55674742

IUPAC2-chloro-5-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)ccc1Cl
InChIInChI=1S/C20H20Cl2N2O2/c1-24(2)18(25)16-12-15(8-9-17(16)22)23-19(26)20(10-3-11-20)13-4-6-14(21)7-5-13/h4-9,12H,3,10-11H2,1-2H3,(H,23,26)
InChIKeyXTBNTZGKVNTWNJ-UHFFFAOYSA-N
MW391.30 g/mol
LogP4.76
Rot. Bonds4

About 2-chloro-5-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide

2-chloro-5-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide (PubChem CID 55674742) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is 2-chloro-5-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide
PubChem CID55674742
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC Name2-chloro-5-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)ccc1Cl
InChIInChI=1S/C20H20Cl2N2O2/c1-24(2)18(25)16-12-15(8-9-17(16)22)23-19(26)20(10-3-11-20)13-4-6-14(21)7-5-13/h4-9,12H,3,10-11H2,1-2H3,(H,23,26)
InChIKeyXTBNTZGKVNTWNJ-UHFFFAOYSA-N
XLogP4.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide
CID 55415843
N-(3-chloro-4-fluorophenyl)-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide
CID 53110613
2-chloro-5-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 55674540
2-fluoro-5-[[1-(4-methylphenyl)cyclobutanecarbonyl]amino]benzamide
CID 139013882
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
N-(3-chloro-4-methylphenyl)-1-phenylcyclobutane-1-carboxamide
CID 110438526
1-(4-chlorophenyl)-N-(3-ethynylphenyl)cyclobutane-1-carboxamide
CID 55514323
1-(4-chlorophenyl)-N-(3-chloro-4-propoxyphenyl)cyclohexane-1-carboxamide
CID 100675916
methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoate
CID 55338524
methyl 2-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoyl]amino]acetate
CID 60606151
6-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide
CID 11269595
5-chloro-N-(4-chlorophenyl)-2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzamide
CID 44530362

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 2-chloro-5-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide (CID 55674742) is 2-chloro-5-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-chloro-5-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-chloro-5-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide?
The InChIKey is XTBNTZGKVNTWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c1-24(2)18(25)16-12-15(8-9-17(16)22)23-19(26)20(10-3-11-20)13-4-6-14(21)7-5-13/h4-9,12H,3,10-11H2,1-2H3,(H,23,26).
What are the key properties of 2-chloro-5-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide?
2-chloro-5-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide has a molecular weight of 391.30 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 55674742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).