5-[[(1R,3R)-3-(4-bromo-3-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(2-cyano-4-fluorophenyl)benzamide

C24H13BrCl4FN3O2 — CID 122617950

IUPAC5-[[(1R,3R)-3-(4-bromo-3-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(2-cyano-4-fluorophenyl)benzamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1cc(NC(=O)[C@H]2[C@H](c3ccc(Br)c(Cl)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C24H13BrCl4FN3O2/c25-16-4-1-11(8-18(16)27)20-21(24(20,28)29)23(35)32-14-3-5-17(26)15(9-14)22(34)33-19-6-2-13(30)7-12(19)10-31/h1-9,20-21H,(H,32,35)(H,33,34)/t20-,21+/m0/s1
InChIKeyGTNNWZZFWNJGGQ-LEWJYISDSA-N
MW616.10 g/mol
LogP7.54
Rot. Bonds5

About 5-[[(1R,3R)-3-(4-bromo-3-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(2-cyano-4-fluorophenyl)benzamide

5-[[(1R,3R)-3-(4-bromo-3-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(2-cyano-4-fluorophenyl)benzamide (PubChem CID 122617950) has the molecular formula C24H13BrCl4FN3O2 and a molecular weight of 616.10 g/mol. Its IUPAC name is 5-[[(1R,3R)-3-(4-bromo-3-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(2-cyano-4-fluorophenyl)benzamide.

Molecular Properties

Compound Name5-[[(1R,3R)-3-(4-bromo-3-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(2-cyano-4-fluorophenyl)benzamide
PubChem CID122617950
Molecular FormulaC24H13BrCl4FN3O2
Molecular Weight616.10 g/mol
Exact Mass612.89
IUPAC Name5-[[(1R,3R)-3-(4-bromo-3-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(2-cyano-4-fluorophenyl)benzamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1cc(NC(=O)[C@H]2[C@H](c3ccc(Br)c(Cl)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C24H13BrCl4FN3O2/c25-16-4-1-11(8-18(16)27)20-21(24(20,28)29)23(35)32-14-3-5-17(26)15(9-14)22(34)33-19-6-2-13(30)7-12(19)10-31/h1-9,20-21H,(H,32,35)(H,33,34)/t20-,21+/m0/s1
InChIKeyGTNNWZZFWNJGGQ-LEWJYISDSA-N
XLogP7.54
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.10
LogP ≤ 57.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[(1S,3S)-3-[3,5-bis(trifluoromethyl)phenyl]-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 122618590
2-chloro-5-[[(3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 138653329
5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluorobenzamide
CID 122618472
2-chloro-N-(4-chloro-2-cyanophenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122617293
N-(4-amino-2-methylphenyl)-5-[[(1S,3S)-3-(4-bromo-3-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chlorobenzamide
CID 122618458
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 122617858
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluoro-2-nitrophenyl)benzamide
CID 122618889
2-chloro-5-[[2,2-dichloro-3-[4-chloro-3-(difluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 122618490
2-chloro-N-(2-cyanophenyl)-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122617577
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichloro-5-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 140860195
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 122617526
N-(4-acetamido-2-fluorophenyl)-2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122618387

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,3R)-3-(4-bromo-3-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(2-cyano-4-fluorophenyl)benzamide?
The IUPAC name of 5-[[(1R,3R)-3-(4-bromo-3-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(2-cyano-4-fluorophenyl)benzamide (CID 122617950) is 5-[[(1R,3R)-3-(4-bromo-3-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(2-cyano-4-fluorophenyl)benzamide.
What is the SMILES notation for 5-[[(1R,3R)-3-(4-bromo-3-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(2-cyano-4-fluorophenyl)benzamide?
The canonical SMILES for 5-[[(1R,3R)-3-(4-bromo-3-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(2-cyano-4-fluorophenyl)benzamide is N#Cc1cc(F)ccc1NC(=O)c1cc(NC(=O)[C@H]2[C@H](c3ccc(Br)c(Cl)c3)C2(Cl)Cl)ccc1Cl.
What is the InChIKey of 5-[[(1R,3R)-3-(4-bromo-3-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(2-cyano-4-fluorophenyl)benzamide?
The InChIKey is GTNNWZZFWNJGGQ-LEWJYISDSA-N. The full InChI is InChI=1S/C24H13BrCl4FN3O2/c25-16-4-1-11(8-18(16)27)20-21(24(20,28)29)23(35)32-14-3-5-17(26)15(9-14)22(34)33-19-6-2-13(30)7-12(19)10-31/h1-9,20-21H,(H,32,35)(H,33,34)/t20-,21+/m0/s1.
What are the key properties of 5-[[(1R,3R)-3-(4-bromo-3-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(2-cyano-4-fluorophenyl)benzamide?
5-[[(1R,3R)-3-(4-bromo-3-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(2-cyano-4-fluorophenyl)benzamide has a molecular weight of 616.10 g/mol, XLogP of 7.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R,3R)-3-(4-bromo-3-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(2-cyano-4-fluorophenyl)benzamide is sourced from PubChem (CID 122617950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).