1-N'-(4-chloro-2-methylphenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide

C18H15ClF2N2O2 — CID 108982777

IUPAC1-N'-(4-chloro-2-methylphenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1(C(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H15ClF2N2O2/c1-10-8-11(19)2-5-15(10)23-17(25)18(6-7-18)16(24)22-12-3-4-13(20)14(21)9-12/h2-5,8-9H,6-7H2,1H3,(H,22,24)(H,23,25)
InChIKeyRGNOSUGALBMMDA-UHFFFAOYSA-N
MW364.78 g/mol
LogP4.28
Rot. Bonds4

About 1-N'-(4-chloro-2-methylphenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide

1-N'-(4-chloro-2-methylphenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108982777) has the molecular formula C18H15ClF2N2O2 and a molecular weight of 364.78 g/mol. Its IUPAC name is 1-N'-(4-chloro-2-methylphenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(4-chloro-2-methylphenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108982777
Molecular FormulaC18H15ClF2N2O2
Molecular Weight364.78 g/mol
Exact Mass364.08
IUPAC Name1-N'-(4-chloro-2-methylphenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1(C(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H15ClF2N2O2/c1-10-8-11(19)2-5-15(10)23-17(25)18(6-7-18)16(24)22-12-3-4-13(20)14(21)9-12/h2-5,8-9H,6-7H2,1H3,(H,22,24)(H,23,25)
InChIKeyRGNOSUGALBMMDA-UHFFFAOYSA-N
XLogP4.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.78
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N-(3-chloro-4-fluorophenyl)-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981242
1-N-(4-chloro-2-methylphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982681
1-N'-(4-chloro-2-methylphenyl)-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1,1-dicarboxamide
CID 108982761
1-N'-(2,5-dichlorophenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981442
1-N-(3-chloro-2-methylphenyl)-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982631
1-N'-(5-chloro-2-methylphenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982710
1-N-(3,4-difluorophenyl)-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981761
1-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 108980445
1-N'-(3-acetamidophenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983475
1-N'-(3-chloro-4-fluorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980871
N-(4-chloro-2-methylphenyl)-2-(3,4-difluoroanilino)acetamide
CID 109008626
1-N'-(2,4-difluorophenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981437

Frequently Asked Questions

What is the IUPAC name of 1-N'-(4-chloro-2-methylphenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(4-chloro-2-methylphenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide (CID 108982777) is 1-N'-(4-chloro-2-methylphenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(4-chloro-2-methylphenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(4-chloro-2-methylphenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide is Cc1cc(Cl)ccc1NC(=O)C1(C(=O)Nc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-N'-(4-chloro-2-methylphenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is RGNOSUGALBMMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N2O2/c1-10-8-11(19)2-5-15(10)23-17(25)18(6-7-18)16(24)22-12-3-4-13(20)14(21)9-12/h2-5,8-9H,6-7H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 1-N'-(4-chloro-2-methylphenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(4-chloro-2-methylphenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 364.78 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(4-chloro-2-methylphenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108982777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).