5-[[(1R,3R)-3-(3-bromo-5-fluoro-4-methoxyphenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)benzamide

C24H16BrCl3F2N2O3 — CID 122617405

IUPAC5-[[(1R,3R)-3-(3-bromo-5-fluoro-4-methoxyphenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)benzamide
SMILESCOc1c(F)cc([C@H]2[C@H](C(=O)Nc3ccc(Cl)c(C(=O)Nc4ccc(F)cc4)c3)C2(Cl)Cl)cc1Br
InChIInChI=1S/C24H16BrCl3F2N2O3/c1-35-21-16(25)8-11(9-18(21)30)19-20(24(19,27)28)23(34)32-14-6-7-17(26)15(10-14)22(33)31-13-4-2-12(29)3-5-13/h2-10,19-20H,1H3,(H,31,33)(H,32,34)/t19-,20+/m0/s1
InChIKeySXPBLOLUPSRACJ-VQTJNVASSA-N
MW604.66 g/mol
LogP7.17
Rot. Bonds6

About 5-[[(1R,3R)-3-(3-bromo-5-fluoro-4-methoxyphenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)benzamide

5-[[(1R,3R)-3-(3-bromo-5-fluoro-4-methoxyphenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)benzamide (PubChem CID 122617405) has the molecular formula C24H16BrCl3F2N2O3 and a molecular weight of 604.66 g/mol. Its IUPAC name is 5-[[(1R,3R)-3-(3-bromo-5-fluoro-4-methoxyphenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name5-[[(1R,3R)-3-(3-bromo-5-fluoro-4-methoxyphenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)benzamide
PubChem CID122617405
Molecular FormulaC24H16BrCl3F2N2O3
Molecular Weight604.66 g/mol
Exact Mass601.94
IUPAC Name5-[[(1R,3R)-3-(3-bromo-5-fluoro-4-methoxyphenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)benzamide
SMILESCOc1c(F)cc([C@H]2[C@H](C(=O)Nc3ccc(Cl)c(C(=O)Nc4ccc(F)cc4)c3)C2(Cl)Cl)cc1Br
InChIInChI=1S/C24H16BrCl3F2N2O3/c1-35-21-16(25)8-11(9-18(21)30)19-20(24(19,27)28)23(34)32-14-6-7-17(26)15(10-14)22(33)31-13-4-2-12(29)3-5-13/h2-10,19-20H,1H3,(H,31,33)(H,32,34)/t19-,20+/m0/s1
InChIKeySXPBLOLUPSRACJ-VQTJNVASSA-N
XLogP7.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.66
LogP ≤ 57.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[[(1R,3R)-3-(3-bromo-5-fluoro-4-methoxyphenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-5-[[2,2-dichloro-3-(3,5-difluoro-4-methoxyphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122630341
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichloro-4-methoxyphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122619130
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-(3,5-dichloro-4-methylphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122617547
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichloro-4-methylphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122617550
2-chloro-5-[(2,2-dichloro-3-phenylcyclopropanecarbonyl)amino]-N-(4-fluorophenyl)benzamide
CID 122630258
2-chloro-5-[[(3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 146269472
5-[[(1R,3R)-3-(4-bromo-3-fluoro-5-methoxyphenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(2,4-difluorophenyl)benzamide
CID 122618572
5-[[(1S,3S)-3-(4-bromo-3-fluoro-5-methoxyphenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(2,4-difluorophenyl)benzamide
CID 122618569
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122618333
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluoro-3-methoxyphenyl)benzamide
CID 134418822
N-(3-amino-2,4-difluorophenyl)-5-[[3-(3-bromo-4,5-difluorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chlorobenzamide
CID 134417974

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,3R)-3-(3-bromo-5-fluoro-4-methoxyphenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)benzamide?
The IUPAC name of 5-[[(1R,3R)-3-(3-bromo-5-fluoro-4-methoxyphenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)benzamide (CID 122617405) is 5-[[(1R,3R)-3-(3-bromo-5-fluoro-4-methoxyphenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 5-[[(1R,3R)-3-(3-bromo-5-fluoro-4-methoxyphenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 5-[[(1R,3R)-3-(3-bromo-5-fluoro-4-methoxyphenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)benzamide is COc1c(F)cc([C@H]2[C@H](C(=O)Nc3ccc(Cl)c(C(=O)Nc4ccc(F)cc4)c3)C2(Cl)Cl)cc1Br.
What is the InChIKey of 5-[[(1R,3R)-3-(3-bromo-5-fluoro-4-methoxyphenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)benzamide?
The InChIKey is SXPBLOLUPSRACJ-VQTJNVASSA-N. The full InChI is InChI=1S/C24H16BrCl3F2N2O3/c1-35-21-16(25)8-11(9-18(21)30)19-20(24(19,27)28)23(34)32-14-6-7-17(26)15(10-14)22(33)31-13-4-2-12(29)3-5-13/h2-10,19-20H,1H3,(H,31,33)(H,32,34)/t19-,20+/m0/s1.
What are the key properties of 5-[[(1R,3R)-3-(3-bromo-5-fluoro-4-methoxyphenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)benzamide?
5-[[(1R,3R)-3-(3-bromo-5-fluoro-4-methoxyphenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)benzamide has a molecular weight of 604.66 g/mol, XLogP of 7.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R,3R)-3-(3-bromo-5-fluoro-4-methoxyphenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 122617405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).