N-(2-cyano-4-fluorophenyl)-3-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide

C24H14Cl4FN3O2 — CID 122618171

IUPACN-(2-cyano-4-fluorophenyl)-3-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1cccc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)c1
InChIInChI=1S/C24H14Cl4FN3O2/c25-15-6-13(7-16(26)10-15)20-21(24(20,27)28)23(34)31-18-3-1-2-12(9-18)22(33)32-19-5-4-17(29)8-14(19)11-30/h1-10,20-21H,(H,31,34)(H,32,33)
InChIKeyAQUSJJNNNNLVHS-UHFFFAOYSA-N
MW537.21 g/mol
LogP6.78
Rot. Bonds5

About N-(2-cyano-4-fluorophenyl)-3-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide

N-(2-cyano-4-fluorophenyl)-3-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide (PubChem CID 122618171) has the molecular formula C24H14Cl4FN3O2 and a molecular weight of 537.21 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-3-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-3-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
PubChem CID122618171
Molecular FormulaC24H14Cl4FN3O2
Molecular Weight537.21 g/mol
Exact Mass534.98
IUPAC NameN-(2-cyano-4-fluorophenyl)-3-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1cccc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)c1
InChIInChI=1S/C24H14Cl4FN3O2/c25-15-6-13(7-16(26)10-15)20-21(24(20,27)28)23(34)31-18-3-1-2-12(9-18)22(33)32-19-5-4-17(29)8-14(19)11-30/h1-10,20-21H,(H,31,34)(H,32,33)
InChIKeyAQUSJJNNNNLVHS-UHFFFAOYSA-N
XLogP6.78
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.21
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-cyano-4-fluorophenyl)-3-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(4-chloro-2-cyanophenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122617293
5-[[(1S,3S)-3-[3,5-bis(trifluoromethyl)phenyl]-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 122618590
5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluorobenzamide
CID 122618971
2-chloro-N-(2-cyanophenyl)-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122617577
2,2-dichloro-3-(3,5-dichlorophenyl)-N-[3-[2-(2,4-difluorophenyl)acetyl]phenyl]cyclopropane-1-carboxamide
CID 146989028
N-cyclopropyl-3-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122615693
5-[[(1R,3R)-3-(4-bromo-3-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 122617950
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 122617526
2-chloro-N-(2-cyano-3-fluorophenyl)-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122618979
2-chloro-N-(2-cyano-4-fluorophenyl)-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-methylbenzamide
CID 122618567
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,5-difluorophenyl)benzamide
CID 175355875
N-[2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2,4-difluorobenzamide
CID 165144557

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-3-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-3-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide (CID 122618171) is N-(2-cyano-4-fluorophenyl)-3-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-3-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-3-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide is N#Cc1cc(F)ccc1NC(=O)c1cccc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)c1.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-3-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide?
The InChIKey is AQUSJJNNNNLVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl4FN3O2/c25-15-6-13(7-16(26)10-15)20-21(24(20,27)28)23(34)31-18-3-1-2-12(9-18)22(33)32-19-5-4-17(29)8-14(19)11-30/h1-10,20-21H,(H,31,34)(H,32,33).
What are the key properties of N-(2-cyano-4-fluorophenyl)-3-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide?
N-(2-cyano-4-fluorophenyl)-3-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide has a molecular weight of 537.21 g/mol, XLogP of 6.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-3-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide is sourced from PubChem (CID 122618171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).