1-N'-(2,4-dichlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide

C18H15Cl2FN2O2 — CID 108975759

IUPAC1-N'-(2,4-dichlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESO=C(NCc1ccccc1F)C1(C(=O)Nc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C18H15Cl2FN2O2/c19-12-5-6-15(13(20)9-12)23-17(25)18(7-8-18)16(24)22-10-11-3-1-2-4-14(11)21/h1-6,9H,7-8,10H2,(H,22,24)(H,23,25)
InChIKeyPZSCUKLHIWXXFQ-UHFFFAOYSA-N
MW381.23 g/mol
LogP4.17
Rot. Bonds5

About 1-N'-(2,4-dichlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide

1-N'-(2,4-dichlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108975759) has the molecular formula C18H15Cl2FN2O2 and a molecular weight of 381.23 g/mol. Its IUPAC name is 1-N'-(2,4-dichlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2,4-dichlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
PubChem CID108975759
Molecular FormulaC18H15Cl2FN2O2
Molecular Weight381.23 g/mol
Exact Mass380.05
IUPAC Name1-N'-(2,4-dichlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESO=C(NCc1ccccc1F)C1(C(=O)Nc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C18H15Cl2FN2O2/c19-12-5-6-15(13(20)9-12)23-17(25)18(7-8-18)16(24)22-10-11-3-1-2-4-14(11)21/h1-6,9H,7-8,10H2,(H,22,24)(H,23,25)
InChIKeyPZSCUKLHIWXXFQ-UHFFFAOYSA-N
XLogP4.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 54.17
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'-(3,4-difluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975773
1-N-benzyl-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974824
1-N'-tert-butyl-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975673
1-N-[(2-fluorophenyl)methyl]-1-N'-[3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108975735
1-(3-chlorophenyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 110438164
1-[(2,4-dichlorophenyl)methyl]-3-(2-fluorophenyl)urea
CID 47103647
1-N'-(4-cyanophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975769
1-N'-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977390
1-N'-(2,6-dichlorophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983822
1-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 110438414
1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977360
1-N,1-N'-bis(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 155683538

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2,4-dichlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2,4-dichlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide (CID 108975759) is 1-N'-(2,4-dichlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2,4-dichlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2,4-dichlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide is O=C(NCc1ccccc1F)C1(C(=O)Nc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-N'-(2,4-dichlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is PZSCUKLHIWXXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FN2O2/c19-12-5-6-15(13(20)9-12)23-17(25)18(7-8-18)16(24)22-10-11-3-1-2-4-14(11)21/h1-6,9H,7-8,10H2,(H,22,24)(H,23,25).
What are the key properties of 1-N'-(2,4-dichlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide?
1-N'-(2,4-dichlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 381.23 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2,4-dichlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108975759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).