3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide

C22H18Cl4F2N2O2 — CID 122630203

IUPAC3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide
SMILESCC1(c2cc(Cl)cc(Cl)c2)C(C(=O)Nc2cccc(C(=O)NC3CC(F)(F)C3)c2)C1(Cl)Cl
InChIInChI=1S/C22H18Cl4F2N2O2/c1-20(12-6-13(23)8-14(24)7-12)17(22(20,25)26)19(32)29-15-4-2-3-11(5-15)18(31)30-16-9-21(27,28)10-16/h2-8,16-17H,9-10H2,1H3,(H,29,32)(H,30,31)
InChIKeyHCXXHEGBSJQENF-UHFFFAOYSA-N
MW522.21 g/mol
LogP6.22
Rot. Bonds5

About 3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide

3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide (PubChem CID 122630203) has the molecular formula C22H18Cl4F2N2O2 and a molecular weight of 522.21 g/mol. Its IUPAC name is 3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide.

Molecular Properties

Compound Name3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide
PubChem CID122630203
Molecular FormulaC22H18Cl4F2N2O2
Molecular Weight522.21 g/mol
Exact Mass520.01
IUPAC Name3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide
SMILESCC1(c2cc(Cl)cc(Cl)c2)C(C(=O)Nc2cccc(C(=O)NC3CC(F)(F)C3)c2)C1(Cl)Cl
InChIInChI=1S/C22H18Cl4F2N2O2/c1-20(12-6-13(23)8-14(24)7-12)17(22(20,25)26)19(32)29-15-4-2-3-11(5-15)18(31)30-16-9-21(27,28)10-16/h2-8,16-17H,9-10H2,1H3,(H,29,32)(H,30,31)
InChIKeyHCXXHEGBSJQENF-UHFFFAOYSA-N
XLogP6.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.21
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide
CID 122615811
N-cyclopropyl-3-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122615693
3-(cyclopropanecarbonylamino)-N-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]benzamide
CID 97241328
N-cyclopropyl-3-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]benzamide
CID 46536638
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
3-[[1-(3-chlorophenyl)cyclohexanecarbonyl]amino]-N-cyclopropylbenzamide
CID 134047957
N-(3-acetylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476131
3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
CID 17170567
N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide
CID 119477045
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3-chloro-5-cyanophenyl)cyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide
CID 122624732
N-(3-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide
CID 18082486
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide
CID 122615414

Frequently Asked Questions

What is the IUPAC name of 3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide?
The IUPAC name of 3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide (CID 122630203) is 3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide.
What is the SMILES notation for 3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide?
The canonical SMILES for 3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide is CC1(c2cc(Cl)cc(Cl)c2)C(C(=O)Nc2cccc(C(=O)NC3CC(F)(F)C3)c2)C1(Cl)Cl.
What is the InChIKey of 3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide?
The InChIKey is HCXXHEGBSJQENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl4F2N2O2/c1-20(12-6-13(23)8-14(24)7-12)17(22(20,25)26)19(32)29-15-4-2-3-11(5-15)18(31)30-16-9-21(27,28)10-16/h2-8,16-17H,9-10H2,1H3,(H,29,32)(H,30,31).
What are the key properties of 3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide?
3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide has a molecular weight of 522.21 g/mol, XLogP of 6.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide is sourced from PubChem (CID 122630203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).