1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide

C18H15ClF2N2O3 — CID 108982906

IUPAC1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(NC(=O)C2(C(=O)Nc3c(F)cccc3F)CC2)cc1Cl
InChIInChI=1S/C18H15ClF2N2O3/c1-26-14-6-5-10(9-11(14)19)22-16(24)18(7-8-18)17(25)23-15-12(20)3-2-4-13(15)21/h2-6,9H,7-8H2,1H3,(H,22,24)(H,23,25)
InChIKeySPVQRXVCILQABX-UHFFFAOYSA-N
MW380.78 g/mol
LogP3.98
Rot. Bonds5

About 1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide

1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108982906) has the molecular formula C18H15ClF2N2O3 and a molecular weight of 380.78 g/mol. Its IUPAC name is 1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108982906
Molecular FormulaC18H15ClF2N2O3
Molecular Weight380.78 g/mol
Exact Mass380.07
IUPAC Name1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(NC(=O)C2(C(=O)Nc3c(F)cccc3F)CC2)cc1Cl
InChIInChI=1S/C18H15ClF2N2O3/c1-26-14-6-5-10(9-11(14)19)22-16(24)18(7-8-18)17(25)23-15-12(20)3-2-4-13(15)21/h2-6,9H,7-8H2,1H3,(H,22,24)(H,23,25)
InChIKeySPVQRXVCILQABX-UHFFFAOYSA-N
XLogP3.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.78
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide
CID 108955436
1-N'-(3-chloro-4-methoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975139
1-N-(3-chloro-4-methoxyphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982684
1-N-butyl-1-N'-(3-chloro-4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108971097
1-N'-(2,6-dichlorophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983822
1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982890
1-N-(4-tert-butylphenyl)-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982284
1-acetyl-N-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 123914370
1-N'-(2,6-difluorophenyl)-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1,1-dicarboxamide
CID 108983718
N-(3-chloro-4-methoxyphenyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76919300
N-(3-chloro-4-methoxyphenyl)-1-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974343
1-N-(4-chlorophenyl)-1-N'-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982578

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide (CID 108982906) is 1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide is COc1ccc(NC(=O)C2(C(=O)Nc3c(F)cccc3F)CC2)cc1Cl.
What is the InChIKey of 1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is SPVQRXVCILQABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N2O3/c1-26-14-6-5-10(9-11(14)19)22-16(24)18(7-8-18)17(25)23-15-12(20)3-2-4-13(15)21/h2-6,9H,7-8H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide?
1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 380.78 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108982906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).