N-[2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2,4-difluorobenzamide

C23H13Cl5F2N2O2 — CID 165144557

IUPACN-[2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2,4-difluorobenzamide
SMILESO=C(Nc1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl)c1ccc(F)cc1F
InChIInChI=1S/C23H13Cl5F2N2O2/c24-11-5-10(6-12(25)7-11)19-20(23(19,27)28)22(34)31-14-2-4-16(26)18(9-14)32-21(33)15-3-1-13(29)8-17(15)30/h1-9,19-20H,(H,31,34)(H,32,33)/t19-,20+/m0/s1
InChIKeyVKYFNEWJVNGROJ-VQTJNVASSA-N
MW564.63 g/mol
LogP7.70
Rot. Bonds5

About N-[2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2,4-difluorobenzamide

N-[2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2,4-difluorobenzamide (PubChem CID 165144557) has the molecular formula C23H13Cl5F2N2O2 and a molecular weight of 564.63 g/mol. Its IUPAC name is N-[2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2,4-difluorobenzamide
PubChem CID165144557
Molecular FormulaC23H13Cl5F2N2O2
Molecular Weight564.63 g/mol
Exact Mass561.94
IUPAC NameN-[2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2,4-difluorobenzamide
SMILESO=C(Nc1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl)c1ccc(F)cc1F
InChIInChI=1S/C23H13Cl5F2N2O2/c24-11-5-10(6-12(25)7-11)19-20(23(19,27)28)22(34)31-14-2-4-16(26)18(9-14)32-21(33)15-3-1-13(29)8-17(15)30/h1-9,19-20H,(H,31,34)(H,32,33)/t19-,20+/m0/s1
InChIKeyVKYFNEWJVNGROJ-VQTJNVASSA-N
XLogP7.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.63
LogP ≤ 57.70
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

N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-4-fluoro-2-methylbenzamide
CID 165144570
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 122617526
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,5-difluorophenyl)benzamide
CID 175355875
5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluorobenzamide
CID 122618971
N-(2-amino-5-fluorophenyl)-2-chloro-5-[[(1R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 131991526
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4,6-trifluorophenyl)benzamide
CID 122617537
2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 122619470
2,2-dichloro-N-[4-chloro-3-[(2-chloro-2,2-difluoroacetyl)amino]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 167224990
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 122617858
N-(3-bromo-2,4-difluorophenyl)-2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 134417984
2-chloro-N-(4-chlorophenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122619017
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichloro-5-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 140860195

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2,4-difluorobenzamide (CID 165144557) is N-[2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2,4-difluorobenzamide is O=C(Nc1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl)c1ccc(F)cc1F.
What is the InChIKey of N-[2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2,4-difluorobenzamide?
The InChIKey is VKYFNEWJVNGROJ-VQTJNVASSA-N. The full InChI is InChI=1S/C23H13Cl5F2N2O2/c24-11-5-10(6-12(25)7-11)19-20(23(19,27)28)22(34)31-14-2-4-16(26)18(9-14)32-21(33)15-3-1-13(29)8-17(15)30/h1-9,19-20H,(H,31,34)(H,32,33)/t19-,20+/m0/s1.
What are the key properties of N-[2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2,4-difluorobenzamide?
N-[2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2,4-difluorobenzamide has a molecular weight of 564.63 g/mol, XLogP of 7.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2,4-difluorobenzamide is sourced from PubChem (CID 165144557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).