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

C23H14Cl6N2O2 — CID 122617411

IUPAC2,4-dichloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)c(Cl)cc1Cl
InChIInChI=1S/C23H14Cl6N2O2/c24-12-6-11(7-13(25)8-12)19-20(23(19,28)29)22(33)31-18-9-15(16(26)10-17(18)27)21(32)30-14-4-2-1-3-5-14/h1-10,19-20H,(H,30,32)(H,31,33)/t19-,20+/m0/s1
InChIKeyURGBNVBDFCVHFN-VQTJNVASSA-N
MW563.10 g/mol
LogP8.08
Rot. Bonds5

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

2,4-dichloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenylbenzamide (PubChem CID 122617411) has the molecular formula C23H14Cl6N2O2 and a molecular weight of 563.10 g/mol. Its IUPAC name is 2,4-dichloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenylbenzamide
PubChem CID122617411
Molecular FormulaC23H14Cl6N2O2
Molecular Weight563.10 g/mol
Exact Mass559.92
IUPAC Name2,4-dichloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)c(Cl)cc1Cl
InChIInChI=1S/C23H14Cl6N2O2/c24-12-6-11(7-13(25)8-12)19-20(23(19,28)29)22(33)31-18-9-15(16(26)10-17(18)27)21(32)30-14-4-2-1-3-5-14/h1-10,19-20H,(H,30,32)(H,31,33)/t19-,20+/m0/s1
InChIKeyURGBNVBDFCVHFN-VQTJNVASSA-N
XLogP8.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.10
LogP ≤ 58.08
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

2,2-dichloro-N-[4-chloro-3-[(phenylcarbamoylamino)carbamoyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 134418882
2-chloro-N-(4-chlorophenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122619017
2,4-dichloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide
CID 122621076
2-chloro-N-(4-chloro-3-hydroxyphenyl)-5-[[(3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 146269473
2-chloro-3-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122617735
2-chloro-5-[(2,2-dichloro-3-phenylcyclopropanecarbonyl)amino]-N-(4-fluorophenyl)benzamide
CID 122630258
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 122619293
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[4-(dimethylamino)phenyl]benzamide
CID 122617818
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 122618630
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenoxybenzamide
CID 122621267
2-chloro-N-(2-cyanophenyl)-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122617577
3-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2-fluoro-N-phenylbenzamide
CID 140860102

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenylbenzamide?
The IUPAC name of 2,4-dichloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenylbenzamide (CID 122617411) is 2,4-dichloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2,4-dichloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2,4-dichloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenylbenzamide is O=C(Nc1ccccc1)c1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenylbenzamide?
The InChIKey is URGBNVBDFCVHFN-VQTJNVASSA-N. The full InChI is InChI=1S/C23H14Cl6N2O2/c24-12-6-11(7-13(25)8-12)19-20(23(19,28)29)22(33)31-18-9-15(16(26)10-17(18)27)21(32)30-14-4-2-1-3-5-14/h1-10,19-20H,(H,30,32)(H,31,33)/t19-,20+/m0/s1.
What are the key properties of 2,4-dichloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenylbenzamide?
2,4-dichloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenylbenzamide has a molecular weight of 563.10 g/mol, XLogP of 8.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 122617411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).