N-(2-amino-5-fluorophenyl)-2-chloro-5-[[(1R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide

C23H15Cl5FN3O2 — CID 131991526

IUPACN-(2-amino-5-fluorophenyl)-2-chloro-5-[[(1R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
SMILESNc1ccc(F)cc1NC(=O)c1cc(NC(=O)[C@H]2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C23H15Cl5FN3O2/c24-11-5-10(6-12(25)7-11)19-20(23(19,27)28)22(34)31-14-2-3-16(26)15(9-14)21(33)32-18-8-13(29)1-4-17(18)30/h1-9,19-20H,30H2,(H,31,34)(H,32,33)/t19?,20-/m1/s1
InChIKeyNQXDAGCEIOIDAG-GFOWMXPYSA-N
MW561.66 g/mol
LogP7.15
Rot. Bonds5

About N-(2-amino-5-fluorophenyl)-2-chloro-5-[[(1R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide

N-(2-amino-5-fluorophenyl)-2-chloro-5-[[(1R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide (PubChem CID 131991526) has the molecular formula C23H15Cl5FN3O2 and a molecular weight of 561.66 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-2-chloro-5-[[(1R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-2-chloro-5-[[(1R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
PubChem CID131991526
Molecular FormulaC23H15Cl5FN3O2
Molecular Weight561.66 g/mol
Exact Mass558.96
IUPAC NameN-(2-amino-5-fluorophenyl)-2-chloro-5-[[(1R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
SMILESNc1ccc(F)cc1NC(=O)c1cc(NC(=O)[C@H]2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C23H15Cl5FN3O2/c24-11-5-10(6-12(25)7-11)19-20(23(19,27)28)22(34)31-14-2-3-16(26)15(9-14)21(33)32-18-8-13(29)1-4-17(18)30/h1-9,19-20H,30H2,(H,31,34)(H,32,33)/t19?,20-/m1/s1
InChIKeyNQXDAGCEIOIDAG-GFOWMXPYSA-N
XLogP7.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.66
LogP ≤ 57.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,5-difluorophenyl)benzamide
CID 175355875
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 122617526
N-[2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2,4-difluorobenzamide
CID 165144557
5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluorobenzamide
CID 122618971
N-(4-amino-2,5-dimethylphenyl)-2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 140859901
2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 122619470
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4,6-trifluorophenyl)benzamide
CID 122617537
N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-4-fluoro-2-methylbenzamide
CID 165144570
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
N-(3-amino-2,4,5,6-tetrafluorophenyl)-2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 140859799
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(5-fluoropyrimidin-2-yl)benzamide
CID 122619229

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-2-chloro-5-[[(1R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-2-chloro-5-[[(1R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide (CID 131991526) is N-(2-amino-5-fluorophenyl)-2-chloro-5-[[(1R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-2-chloro-5-[[(1R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-2-chloro-5-[[(1R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide is Nc1ccc(F)cc1NC(=O)c1cc(NC(=O)[C@H]2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-2-chloro-5-[[(1R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide?
The InChIKey is NQXDAGCEIOIDAG-GFOWMXPYSA-N. The full InChI is InChI=1S/C23H15Cl5FN3O2/c24-11-5-10(6-12(25)7-11)19-20(23(19,27)28)22(34)31-14-2-3-16(26)15(9-14)21(33)32-18-8-13(29)1-4-17(18)30/h1-9,19-20H,30H2,(H,31,34)(H,32,33)/t19?,20-/m1/s1.
What are the key properties of N-(2-amino-5-fluorophenyl)-2-chloro-5-[[(1R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide?
N-(2-amino-5-fluorophenyl)-2-chloro-5-[[(1R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide has a molecular weight of 561.66 g/mol, XLogP of 7.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-2-chloro-5-[[(1R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide is sourced from PubChem (CID 131991526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).