2-chloro-5-[[(1R,3R)-3-(3,5-dichlorophenyl)-2,2-difluorocyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide

C23H13Cl3F4N2O2 — CID 140859885

IUPAC2-chloro-5-[[(1R,3R)-3-(3,5-dichlorophenyl)-2,2-difluorocyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1F)c1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)cc(Cl)c3)C2(F)F)ccc1Cl
InChIInChI=1S/C23H13Cl3F4N2O2/c24-11-5-10(6-12(25)7-11)19-20(23(19,29)30)22(34)31-14-2-3-16(26)15(9-14)21(33)32-18-4-1-13(27)8-17(18)28/h1-9,19-20H,(H,31,34)(H,32,33)/t19-,20+/m0/s1
InChIKeyWNVBNPRICPHPGX-VQTJNVASSA-N
MW531.72 g/mol
LogP7.16
Rot. Bonds5

About 2-chloro-5-[[(1R,3R)-3-(3,5-dichlorophenyl)-2,2-difluorocyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide

2-chloro-5-[[(1R,3R)-3-(3,5-dichlorophenyl)-2,2-difluorocyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide (PubChem CID 140859885) has the molecular formula C23H13Cl3F4N2O2 and a molecular weight of 531.72 g/mol. Its IUPAC name is 2-chloro-5-[[(1R,3R)-3-(3,5-dichlorophenyl)-2,2-difluorocyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[[(1R,3R)-3-(3,5-dichlorophenyl)-2,2-difluorocyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
PubChem CID140859885
Molecular FormulaC23H13Cl3F4N2O2
Molecular Weight531.72 g/mol
Exact Mass530.00
IUPAC Name2-chloro-5-[[(1R,3R)-3-(3,5-dichlorophenyl)-2,2-difluorocyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1F)c1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)cc(Cl)c3)C2(F)F)ccc1Cl
InChIInChI=1S/C23H13Cl3F4N2O2/c24-11-5-10(6-12(25)7-11)19-20(23(19,29)30)22(34)31-14-2-3-16(26)15(9-14)21(33)32-18-4-1-13(27)8-17(18)28/h1-9,19-20H,(H,31,34)(H,32,33)/t19-,20+/m0/s1
InChIKeyWNVBNPRICPHPGX-VQTJNVASSA-N
XLogP7.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.72
LogP ≤ 57.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-chloro-5-[[(1R,3R)-3-(3,5-dichlorophenyl)-2,2-difluorocyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)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-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 122617526
N-(3-amino-2,4-difluorophenyl)-2-chloro-5-[[3-(3,5-dichlorophenyl)-2,2-difluorocyclopropanecarbonyl]amino]benzamide
CID 134417961
5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluorobenzamide
CID 122618971
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,5-difluorophenyl)benzamide
CID 175355875
2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 122619470
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 122617858
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichloro-5-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 140860195
2-chloro-5-[[(3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 138653329
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-fluoro-4-formylphenyl)benzamide
CID 122630121
2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)-2-fluorocyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122619150
N-[2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2,4-difluorobenzamide
CID 165144557
5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluorobenzamide
CID 122618472

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(1R,3R)-3-(3,5-dichlorophenyl)-2,2-difluorocyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide?
The IUPAC name of 2-chloro-5-[[(1R,3R)-3-(3,5-dichlorophenyl)-2,2-difluorocyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide (CID 140859885) is 2-chloro-5-[[(1R,3R)-3-(3,5-dichlorophenyl)-2,2-difluorocyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide.
What is the SMILES notation for 2-chloro-5-[[(1R,3R)-3-(3,5-dichlorophenyl)-2,2-difluorocyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide?
The canonical SMILES for 2-chloro-5-[[(1R,3R)-3-(3,5-dichlorophenyl)-2,2-difluorocyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide is O=C(Nc1ccc(F)cc1F)c1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)cc(Cl)c3)C2(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[(1R,3R)-3-(3,5-dichlorophenyl)-2,2-difluorocyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide?
The InChIKey is WNVBNPRICPHPGX-VQTJNVASSA-N. The full InChI is InChI=1S/C23H13Cl3F4N2O2/c24-11-5-10(6-12(25)7-11)19-20(23(19,29)30)22(34)31-14-2-3-16(26)15(9-14)21(33)32-18-4-1-13(27)8-17(18)28/h1-9,19-20H,(H,31,34)(H,32,33)/t19-,20+/m0/s1.
What are the key properties of 2-chloro-5-[[(1R,3R)-3-(3,5-dichlorophenyl)-2,2-difluorocyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide?
2-chloro-5-[[(1R,3R)-3-(3,5-dichlorophenyl)-2,2-difluorocyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide has a molecular weight of 531.72 g/mol, XLogP of 7.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[(1R,3R)-3-(3,5-dichlorophenyl)-2,2-difluorocyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide is sourced from PubChem (CID 140859885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).