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

C24H16Cl4F2N2O2 — CID 122617816

IUPAC2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(4-chloro-3-fluorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1cc(NC(=O)[C@@H]2[C@@H](c3ccc(Cl)c(F)c3)C2(Cl)Cl)ccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C24H16Cl4F2N2O2/c1-32(15-6-3-13(29)4-7-15)23(34)16-11-14(5-9-17(16)25)31-22(33)21-20(24(21,27)28)12-2-8-18(26)19(30)10-12/h2-11,20-21H,1H3,(H,31,33)/t20-,21+/m1/s1
InChIKeyNZUAPNCMOHBLOA-RTWAWAEBSA-N
MW544.21 g/mol
LogP7.07
Rot. Bonds5

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

2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(4-chloro-3-fluorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-N-methylbenzamide (PubChem CID 122617816) has the molecular formula C24H16Cl4F2N2O2 and a molecular weight of 544.21 g/mol. Its IUPAC name is 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(4-chloro-3-fluorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(4-chloro-3-fluorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-N-methylbenzamide
PubChem CID122617816
Molecular FormulaC24H16Cl4F2N2O2
Molecular Weight544.21 g/mol
Exact Mass541.99
IUPAC Name2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(4-chloro-3-fluorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1cc(NC(=O)[C@@H]2[C@@H](c3ccc(Cl)c(F)c3)C2(Cl)Cl)ccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C24H16Cl4F2N2O2/c1-32(15-6-3-13(29)4-7-15)23(34)16-11-14(5-9-17(16)25)31-22(33)21-20(24(21,27)28)12-2-8-18(26)19(30)10-12/h2-11,20-21H,1H3,(H,31,33)/t20-,21+/m1/s1
InChIKeyNZUAPNCMOHBLOA-RTWAWAEBSA-N
XLogP7.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.21
LogP ≤ 57.07
H-Bond Donors ≤ 51
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-[[(1S,3S)-2,2-dichloro-3-(3-chloro-4-ethenylphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-N-methylbenzamide
CID 122617647
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichloro-5-methylphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-N-methylbenzamide
CID 122618448
5-[[(1S,3S)-3-(3-bromo-5-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)-N-methylbenzamide
CID 122618370
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(4-chloro-3-fluorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122618686
2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-cyanophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-N-methylbenzamide
CID 122619409
5-[[2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide
CID 122618398
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-N-methylbenzamide
CID 122619008
N-(3-amino-2,4-difluorophenyl)-2-chloro-5-[[(3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-methylbenzamide
CID 134413150
5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-2-fluoro-N-methyl-N-phenylbenzamide
CID 122617932
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluoro-2-methylphenyl)-N-methylbenzamide
CID 122618656
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-[2,4-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-N-methylbenzamide
CID 140859678
5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide
CID 122617448

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(4-chloro-3-fluorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-N-methylbenzamide?
The IUPAC name of 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(4-chloro-3-fluorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-N-methylbenzamide (CID 122617816) is 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(4-chloro-3-fluorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-N-methylbenzamide.
What is the SMILES notation for 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(4-chloro-3-fluorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-N-methylbenzamide?
The canonical SMILES for 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(4-chloro-3-fluorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-N-methylbenzamide is CN(C(=O)c1cc(NC(=O)[C@@H]2[C@@H](c3ccc(Cl)c(F)c3)C2(Cl)Cl)ccc1Cl)c1ccc(F)cc1.
What is the InChIKey of 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(4-chloro-3-fluorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-N-methylbenzamide?
The InChIKey is NZUAPNCMOHBLOA-RTWAWAEBSA-N. The full InChI is InChI=1S/C24H16Cl4F2N2O2/c1-32(15-6-3-13(29)4-7-15)23(34)16-11-14(5-9-17(16)25)31-22(33)21-20(24(21,27)28)12-2-8-18(26)19(30)10-12/h2-11,20-21H,1H3,(H,31,33)/t20-,21+/m1/s1.
What are the key properties of 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(4-chloro-3-fluorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-N-methylbenzamide?
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(4-chloro-3-fluorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-N-methylbenzamide has a molecular weight of 544.21 g/mol, XLogP of 7.07, 5 rotatable bonds, 1 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-(4-chloro-3-fluorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-N-methylbenzamide is sourced from PubChem (CID 122617816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).