2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide

C22H17Cl5F2N2O2 — CID 122615811

IUPAC2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide
SMILESC[C@@]1(c2cc(Cl)cc(Cl)c2)[C@@H](C(=O)Nc2ccc(Cl)c(C(=O)NC3CC(F)(F)C3)c2)C1(Cl)Cl
InChIInChI=1S/C22H17Cl5F2N2O2/c1-20(10-4-11(23)6-12(24)5-10)17(22(20,26)27)19(33)30-13-2-3-16(25)15(7-13)18(32)31-14-8-21(28,29)9-14/h2-7,14,17H,8-9H2,1H3,(H,30,33)(H,31,32)/t17-,20-/m1/s1
InChIKeyUJYQRRXREBWWLA-YLJYHZDGSA-N
MW556.65 g/mol
LogP6.87
Rot. Bonds5

About 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide

2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide (PubChem CID 122615811) has the molecular formula C22H17Cl5F2N2O2 and a molecular weight of 556.65 g/mol. Its IUPAC name is 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide
PubChem CID122615811
Molecular FormulaC22H17Cl5F2N2O2
Molecular Weight556.65 g/mol
Exact Mass553.97
IUPAC Name2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide
SMILESC[C@@]1(c2cc(Cl)cc(Cl)c2)[C@@H](C(=O)Nc2ccc(Cl)c(C(=O)NC3CC(F)(F)C3)c2)C1(Cl)Cl
InChIInChI=1S/C22H17Cl5F2N2O2/c1-20(10-4-11(23)6-12(24)5-10)17(22(20,26)27)19(33)30-13-2-3-16(25)15(7-13)18(32)31-14-8-21(28,29)9-14/h2-7,14,17H,8-9H2,1H3,(H,30,33)(H,31,32)/t17-,20-/m1/s1
InChIKeyUJYQRRXREBWWLA-YLJYHZDGSA-N
XLogP6.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.65
LogP ≤ 56.87
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

3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide
CID 122630203
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide
CID 122615414
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3-chloro-5-cyanophenyl)cyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide
CID 122624732
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(4-nitrophenyl)cyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide
CID 122615321
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide
CID 122615203
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(oxetan-3-yl)benzamide
CID 122615333
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(1-methylcyclopropyl)benzamide
CID 122615254
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trifluorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide
CID 142741932
2-chloro-5-[[2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,2-difluorocyclopropyl)benzamide
CID 122632814
N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-2,3,4,5-tetrafluorobenzamide
CID 71890363
2-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975390
2-chloro-5-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(4-oxocyclohexyl)benzamide
CID 122615409

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide?
The IUPAC name of 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide (CID 122615811) is 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide.
What is the SMILES notation for 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide?
The canonical SMILES for 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide is C[C@@]1(c2cc(Cl)cc(Cl)c2)[C@@H](C(=O)Nc2ccc(Cl)c(C(=O)NC3CC(F)(F)C3)c2)C1(Cl)Cl.
What is the InChIKey of 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide?
The InChIKey is UJYQRRXREBWWLA-YLJYHZDGSA-N. The full InChI is InChI=1S/C22H17Cl5F2N2O2/c1-20(10-4-11(23)6-12(24)5-10)17(22(20,26)27)19(33)30-13-2-3-16(25)15(7-13)18(32)31-14-8-21(28,29)9-14/h2-7,14,17H,8-9H2,1H3,(H,30,33)(H,31,32)/t17-,20-/m1/s1.
What are the key properties of 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide?
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide has a molecular weight of 556.65 g/mol, XLogP of 6.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)-3-methylcyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide is sourced from PubChem (CID 122615811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).