5-[[(1S,3S)-3-(3-bromo-5-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)-N-methylbenzamide

C24H16BrCl4FN2O2 — CID 122618370

IUPAC5-[[(1S,3S)-3-(3-bromo-5-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1cc(NC(=O)[C@@H]2[C@@H](c3cc(Cl)cc(Br)c3)C2(Cl)Cl)ccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C24H16BrCl4FN2O2/c1-32(17-5-2-15(30)3-6-17)23(34)18-11-16(4-7-19(18)27)31-22(33)21-20(24(21,28)29)12-8-13(25)10-14(26)9-12/h2-11,20-21H,1H3,(H,31,33)/t20-,21+/m1/s1
InChIKeyUQXBNDVUQNSJNH-RTWAWAEBSA-N
MW605.12 g/mol
LogP7.70
Rot. Bonds5

About 5-[[(1S,3S)-3-(3-bromo-5-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)-N-methylbenzamide

5-[[(1S,3S)-3-(3-bromo-5-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)-N-methylbenzamide (PubChem CID 122618370) has the molecular formula C24H16BrCl4FN2O2 and a molecular weight of 605.12 g/mol. Its IUPAC name is 5-[[(1S,3S)-3-(3-bromo-5-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)-N-methylbenzamide.

Molecular Properties

Compound Name5-[[(1S,3S)-3-(3-bromo-5-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)-N-methylbenzamide
PubChem CID122618370
Molecular FormulaC24H16BrCl4FN2O2
Molecular Weight605.12 g/mol
Exact Mass601.91
IUPAC Name5-[[(1S,3S)-3-(3-bromo-5-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1cc(NC(=O)[C@@H]2[C@@H](c3cc(Cl)cc(Br)c3)C2(Cl)Cl)ccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C24H16BrCl4FN2O2/c1-32(17-5-2-15(30)3-6-17)23(34)18-11-16(4-7-19(18)27)31-22(33)21-20(24(21,28)29)12-8-13(25)10-14(26)9-12/h2-11,20-21H,1H3,(H,31,33)/t20-,21+/m1/s1
InChIKeyUQXBNDVUQNSJNH-RTWAWAEBSA-N
XLogP7.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.12
LogP ≤ 57.70
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-[[2,2-dichloro-3-(3-chloro-5-cyanophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-N-methylbenzamide
CID 122619409
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(4-chloro-3-fluorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-N-methylbenzamide
CID 122617816
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichloro-5-methylphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-N-methylbenzamide
CID 122618448
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-N-methylbenzamide
CID 122619008
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-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluoro-2-methylphenyl)-N-methylbenzamide
CID 122618656
5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-2-fluoro-N-methyl-N-phenylbenzamide
CID 122617932
3-(3-bromo-5-chlorophenyl)-2,2-dichloro-N-[4-chloro-3-[2-(2,4-difluorophenyl)acetyl]phenyl]cyclopropane-1-carboxamide
CID 152789837
2-chloro-N-(2-cyano-4-fluorophenyl)-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-methylbenzamide
CID 122618567
5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide
CID 122617448
5-[[3-(3-bromo-5-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-N-methylbenzamide
CID 146269496
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[4-(dimethylamino)phenyl]benzamide
CID 122617818

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,3S)-3-(3-bromo-5-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)-N-methylbenzamide?
The IUPAC name of 5-[[(1S,3S)-3-(3-bromo-5-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)-N-methylbenzamide (CID 122618370) is 5-[[(1S,3S)-3-(3-bromo-5-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)-N-methylbenzamide.
What is the SMILES notation for 5-[[(1S,3S)-3-(3-bromo-5-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)-N-methylbenzamide?
The canonical SMILES for 5-[[(1S,3S)-3-(3-bromo-5-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)-N-methylbenzamide is CN(C(=O)c1cc(NC(=O)[C@@H]2[C@@H](c3cc(Cl)cc(Br)c3)C2(Cl)Cl)ccc1Cl)c1ccc(F)cc1.
What is the InChIKey of 5-[[(1S,3S)-3-(3-bromo-5-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)-N-methylbenzamide?
The InChIKey is UQXBNDVUQNSJNH-RTWAWAEBSA-N. The full InChI is InChI=1S/C24H16BrCl4FN2O2/c1-32(17-5-2-15(30)3-6-17)23(34)18-11-16(4-7-19(18)27)31-22(33)21-20(24(21,28)29)12-8-13(25)10-14(26)9-12/h2-11,20-21H,1H3,(H,31,33)/t20-,21+/m1/s1.
What are the key properties of 5-[[(1S,3S)-3-(3-bromo-5-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)-N-methylbenzamide?
5-[[(1S,3S)-3-(3-bromo-5-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)-N-methylbenzamide has a molecular weight of 605.12 g/mol, XLogP of 7.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,3S)-3-(3-bromo-5-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)-N-methylbenzamide is sourced from PubChem (CID 122618370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).