2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(3-fluorophenyl)benzamide

C23H14Cl5FN2O2 — CID 122618432

IUPAC2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(3-fluorophenyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1cc(NC(=O)[C@@H]2[C@@H](c3ccc(Cl)c(Cl)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C23H14Cl5FN2O2/c24-16-7-5-14(10-15(16)21(32)30-13-3-1-2-12(29)9-13)31-22(33)20-19(23(20,27)28)11-4-6-17(25)18(26)8-11/h1-10,19-20H,(H,30,32)(H,31,33)/t19-,20+/m1/s1
InChIKeyWQLVMUUXEPQIBV-UXHICEINSA-N
MW546.64 g/mol
LogP7.56
Rot. Bonds5

About 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(3-fluorophenyl)benzamide

2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(3-fluorophenyl)benzamide (PubChem CID 122618432) has the molecular formula C23H14Cl5FN2O2 and a molecular weight of 546.64 g/mol. Its IUPAC name is 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(3-fluorophenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(3-fluorophenyl)benzamide
PubChem CID122618432
Molecular FormulaC23H14Cl5FN2O2
Molecular Weight546.64 g/mol
Exact Mass543.95
IUPAC Name2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(3-fluorophenyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1cc(NC(=O)[C@@H]2[C@@H](c3ccc(Cl)c(Cl)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C23H14Cl5FN2O2/c24-16-7-5-14(10-15(16)21(32)30-13-3-1-2-12(29)9-13)31-22(33)20-19(23(20,27)28)11-4-6-17(25)18(26)8-11/h1-10,19-20H,(H,30,32)(H,31,33)/t19-,20+/m1/s1
InChIKeyWQLVMUUXEPQIBV-UXHICEINSA-N
XLogP7.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.64
LogP ≤ 57.56
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

2-chloro-5-[[(3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 138653329
N-(4-amino-3,5-difluorophenyl)-2-chloro-5-[[2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 134418215
N-(4-acetamidophenyl)-2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122618862
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(4-chloro-3-fluorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122618686
5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluorobenzamide
CID 122618472
2-chloro-5-[(2,2-dichloro-3-phenylcyclopropanecarbonyl)amino]-N-(4-fluorophenyl)benzamide
CID 122630258
N-(4-acetamido-2-fluorophenyl)-2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122618387
N-(4-amino-2,6-difluorophenyl)-2-chloro-5-[[(3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 134418016
N-(4-amino-2,6-difluorophenyl)-2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 140860209
N-(5-amino-2-fluorophenyl)-2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122618024
N-(5-amino-2,4-difluorophenyl)-2-chloro-5-[[(3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 138653293
N-(3-acetamido-2,4,6-trifluorophenyl)-2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 140859665

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(3-fluorophenyl)benzamide?
The IUPAC name of 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(3-fluorophenyl)benzamide (CID 122618432) is 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(3-fluorophenyl)benzamide.
What is the SMILES notation for 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(3-fluorophenyl)benzamide?
The canonical SMILES for 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(3-fluorophenyl)benzamide is O=C(Nc1cccc(F)c1)c1cc(NC(=O)[C@@H]2[C@@H](c3ccc(Cl)c(Cl)c3)C2(Cl)Cl)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(3-fluorophenyl)benzamide?
The InChIKey is WQLVMUUXEPQIBV-UXHICEINSA-N. The full InChI is InChI=1S/C23H14Cl5FN2O2/c24-16-7-5-14(10-15(16)21(32)30-13-3-1-2-12(29)9-13)31-22(33)20-19(23(20,27)28)11-4-6-17(25)18(26)8-11/h1-10,19-20H,(H,30,32)(H,31,33)/t19-,20+/m1/s1.
What are the key properties of 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(3-fluorophenyl)benzamide?
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(3-fluorophenyl)benzamide has a molecular weight of 546.64 g/mol, XLogP of 7.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(3-fluorophenyl)benzamide is sourced from PubChem (CID 122618432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).