2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trifluorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide

C23H18Cl3F5N2O2 — CID 142741932

IUPAC2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trifluorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide
SMILESO=C(NC1CCC(F)(F)CC1)c1cc(NC(=O)[C@H]2[C@H](c3cc(F)c(F)c(F)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C23H18Cl3F5N2O2/c24-14-2-1-12(9-13(14)20(34)32-11-3-5-22(30,31)6-4-11)33-21(35)18-17(23(18,25)26)10-7-15(27)19(29)16(28)8-10/h1-2,7-9,11,17-18H,3-6H2,(H,32,34)(H,33,35)/t17-,18+/m0/s1
InChIKeyIYZPLKOHEANVRG-ZWKOTPCHSA-N
MW555.76 g/mol
LogP6.59
Rot. Bonds5

About 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trifluorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide

2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trifluorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide (PubChem CID 142741932) has the molecular formula C23H18Cl3F5N2O2 and a molecular weight of 555.76 g/mol. Its IUPAC name is 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trifluorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trifluorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide
PubChem CID142741932
Molecular FormulaC23H18Cl3F5N2O2
Molecular Weight555.76 g/mol
Exact Mass554.04
IUPAC Name2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trifluorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide
SMILESO=C(NC1CCC(F)(F)CC1)c1cc(NC(=O)[C@H]2[C@H](c3cc(F)c(F)c(F)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C23H18Cl3F5N2O2/c24-14-2-1-12(9-13(14)20(34)32-11-3-5-22(30,31)6-4-11)33-21(35)18-17(23(18,25)26)10-7-15(27)19(29)16(28)8-10/h1-2,7-9,11,17-18H,3-6H2,(H,32,34)(H,33,35)/t17-,18+/m0/s1
InChIKeyIYZPLKOHEANVRG-ZWKOTPCHSA-N
XLogP6.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.76
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trifluorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)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-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide
CID 122615203
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide
CID 122615414
2-chloro-5-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(4-oxocyclohexyl)benzamide
CID 122615409
2-chloro-5-[[2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,2-difluorocyclopropyl)benzamide
CID 122632814
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(thiolan-3-yl)benzamide
CID 122615387
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(oxetan-3-yl)benzamide
CID 122615333
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3-chloro-5-cyanophenyl)cyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide
CID 122624732
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(4-nitrophenyl)cyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide
CID 122615321
2-chloro-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-5-[[2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122632813
2-chloro-5-[[2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,6-difluorophenyl)benzamide
CID 122617362
2-chloro-5-[[2,2-dichloro-3-(3,4,5-trimethylphenyl)cyclopropanecarbonyl]amino]-N-(1,1-dioxothietan-3-yl)benzamide
CID 163446379
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(4-chloro-3-fluorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122618686

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trifluorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide?
The IUPAC name of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trifluorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide (CID 142741932) is 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trifluorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide.
What is the SMILES notation for 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trifluorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide?
The canonical SMILES for 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trifluorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide is O=C(NC1CCC(F)(F)CC1)c1cc(NC(=O)[C@H]2[C@H](c3cc(F)c(F)c(F)c3)C2(Cl)Cl)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trifluorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide?
The InChIKey is IYZPLKOHEANVRG-ZWKOTPCHSA-N. The full InChI is InChI=1S/C23H18Cl3F5N2O2/c24-14-2-1-12(9-13(14)20(34)32-11-3-5-22(30,31)6-4-11)33-21(35)18-17(23(18,25)26)10-7-15(27)19(29)16(28)8-10/h1-2,7-9,11,17-18H,3-6H2,(H,32,34)(H,33,35)/t17-,18+/m0/s1.
What are the key properties of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trifluorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide?
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trifluorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide has a molecular weight of 555.76 g/mol, XLogP of 6.59, 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)-2,2-dichloro-3-(3,4,5-trifluorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide is sourced from PubChem (CID 142741932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).