N-[5-[1-carbamoyl-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropyl]-2-chlorophenyl]-4-cyano-2-fluorobenzamide

C24H13Cl5FN3O2 — CID 175598359

IUPACN-[5-[1-carbamoyl-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropyl]-2-chlorophenyl]-4-cyano-2-fluorobenzamide
SMILESN#Cc1ccc(C(=O)Nc2cc(C3(C(N)=O)C(c4cc(Cl)cc(Cl)c4)C3(Cl)Cl)ccc2Cl)c(F)c1
InChIInChI=1S/C24H13Cl5FN3O2/c25-14-6-12(7-15(26)9-14)20-23(22(32)35,24(20,28)29)13-2-4-17(27)19(8-13)33-21(34)16-3-1-11(10-31)5-18(16)30/h1-9,20H,(H2,32,35)(H,33,34)
InChIKeyGIUQLCUUQMYEFC-UHFFFAOYSA-N
MW571.65 g/mol
LogP6.60
Rot. Bonds5

About N-[5-[1-carbamoyl-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropyl]-2-chlorophenyl]-4-cyano-2-fluorobenzamide

N-[5-[1-carbamoyl-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropyl]-2-chlorophenyl]-4-cyano-2-fluorobenzamide (PubChem CID 175598359) has the molecular formula C24H13Cl5FN3O2 and a molecular weight of 571.65 g/mol. Its IUPAC name is N-[5-[1-carbamoyl-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropyl]-2-chlorophenyl]-4-cyano-2-fluorobenzamide.

Molecular Properties

Compound NameN-[5-[1-carbamoyl-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropyl]-2-chlorophenyl]-4-cyano-2-fluorobenzamide
PubChem CID175598359
Molecular FormulaC24H13Cl5FN3O2
Molecular Weight571.65 g/mol
Exact Mass568.94
IUPAC NameN-[5-[1-carbamoyl-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropyl]-2-chlorophenyl]-4-cyano-2-fluorobenzamide
SMILESN#Cc1ccc(C(=O)Nc2cc(C3(C(N)=O)C(c4cc(Cl)cc(Cl)c4)C3(Cl)Cl)ccc2Cl)c(F)c1
InChIInChI=1S/C24H13Cl5FN3O2/c25-14-6-12(7-15(26)9-14)20-23(22(32)35,24(20,28)29)13-2-4-17(27)19(8-13)33-21(34)16-3-1-11(10-31)5-18(16)30/h1-9,20H,(H2,32,35)(H,33,34)
InChIKeyGIUQLCUUQMYEFC-UHFFFAOYSA-N
XLogP6.60
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.65
LogP ≤ 56.60
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-[1-carbamoyl-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropyl]-2-chloro-N-(4-ethenyl-2-fluorophenyl)benzamide
CID 175576577
5-[1-carbamoyl-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropyl]-2-chloro-N-(3-ethenyl-4-fluorophenyl)benzamide
CID 175576763
5-[1-carbamoyl-2,2-dichloro-3-(2,3,4,5,6-pentafluorophenyl)cyclopropyl]-2-chloro-N-(2,4-difluorophenyl)benzamide
CID 175576813
5-[1-carbamoyl-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropyl]-2-chloro-N-(2,5-dimethyl-4-nitrophenyl)benzamide
CID 175576812
5-[1-carbamoyl-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropyl]-N-(2,4-difluorophenyl)-2-fluoro-3-methylbenzamide
CID 175576559
N-(2-chloro-5-cyanophenyl)-2-fluoro-5-sulfanylbenzamide
CID 107032756
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide
CID 2301869
5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide
CID 115532718
2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799731
N-[2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2,4-difluorobenzamide
CID 165144557
2-amino-4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 107806873
1-(2-chloro-5-cyanophenyl)-3-(3,5-dichlorophenyl)urea
CID 107653480

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-carbamoyl-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropyl]-2-chlorophenyl]-4-cyano-2-fluorobenzamide?
The IUPAC name of N-[5-[1-carbamoyl-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropyl]-2-chlorophenyl]-4-cyano-2-fluorobenzamide (CID 175598359) is N-[5-[1-carbamoyl-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropyl]-2-chlorophenyl]-4-cyano-2-fluorobenzamide.
What is the SMILES notation for N-[5-[1-carbamoyl-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropyl]-2-chlorophenyl]-4-cyano-2-fluorobenzamide?
The canonical SMILES for N-[5-[1-carbamoyl-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropyl]-2-chlorophenyl]-4-cyano-2-fluorobenzamide is N#Cc1ccc(C(=O)Nc2cc(C3(C(N)=O)C(c4cc(Cl)cc(Cl)c4)C3(Cl)Cl)ccc2Cl)c(F)c1.
What is the InChIKey of N-[5-[1-carbamoyl-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropyl]-2-chlorophenyl]-4-cyano-2-fluorobenzamide?
The InChIKey is GIUQLCUUQMYEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13Cl5FN3O2/c25-14-6-12(7-15(26)9-14)20-23(22(32)35,24(20,28)29)13-2-4-17(27)19(8-13)33-21(34)16-3-1-11(10-31)5-18(16)30/h1-9,20H,(H2,32,35)(H,33,34).
What are the key properties of N-[5-[1-carbamoyl-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropyl]-2-chlorophenyl]-4-cyano-2-fluorobenzamide?
N-[5-[1-carbamoyl-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropyl]-2-chlorophenyl]-4-cyano-2-fluorobenzamide has a molecular weight of 571.65 g/mol, XLogP of 6.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-carbamoyl-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropyl]-2-chlorophenyl]-4-cyano-2-fluorobenzamide is sourced from PubChem (CID 175598359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).