1-N'-(4-chloro-2-methoxy-5-methylphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

C19H18ClFN2O3 — CID 108982429

IUPAC1-N'-(4-chloro-2-methoxy-5-methylphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C19H18ClFN2O3/c1-11-9-15(16(26-2)10-14(11)20)23-18(25)19(7-8-19)17(24)22-13-5-3-12(21)4-6-13/h3-6,9-10H,7-8H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyMFXMOZDELPBLIZ-UHFFFAOYSA-N
MW376.82 g/mol
LogP4.15
Rot. Bonds5

About 1-N'-(4-chloro-2-methoxy-5-methylphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

1-N'-(4-chloro-2-methoxy-5-methylphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108982429) has the molecular formula C19H18ClFN2O3 and a molecular weight of 376.82 g/mol. Its IUPAC name is 1-N'-(4-chloro-2-methoxy-5-methylphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(4-chloro-2-methoxy-5-methylphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108982429
Molecular FormulaC19H18ClFN2O3
Molecular Weight376.82 g/mol
Exact Mass376.10
IUPAC Name1-N'-(4-chloro-2-methoxy-5-methylphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C19H18ClFN2O3/c1-11-9-15(16(26-2)10-14(11)20)23-18(25)19(7-8-19)17(24)22-13-5-3-12(21)4-6-13/h3-6,9-10H,7-8H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyMFXMOZDELPBLIZ-UHFFFAOYSA-N
XLogP4.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 54.15
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'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide
CID 108512659
1-N'-(4-chloro-2-methoxy-5-methylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981368
1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982372
1-N'-benzyl-1-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108975623
1-N-(3-chloro-4-methoxyphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982684
1-N'-(2,4-dimethoxyphenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983060
1-N'-(2,5-dimethoxyphenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980885
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-ethylphenyl)urea
CID 108991505
1-N'-(3-chloro-4-methylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975857
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244354
N-[4-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
CID 23095274
1-N'-(4-chloro-2-methylphenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982777

Frequently Asked Questions

What is the IUPAC name of 1-N'-(4-chloro-2-methoxy-5-methylphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(4-chloro-2-methoxy-5-methylphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (CID 108982429) is 1-N'-(4-chloro-2-methoxy-5-methylphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(4-chloro-2-methoxy-5-methylphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(4-chloro-2-methoxy-5-methylphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is COc1cc(Cl)c(C)cc1NC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 1-N'-(4-chloro-2-methoxy-5-methylphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is MFXMOZDELPBLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O3/c1-11-9-15(16(26-2)10-14(11)20)23-18(25)19(7-8-19)17(24)22-13-5-3-12(21)4-6-13/h3-6,9-10H,7-8H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 1-N'-(4-chloro-2-methoxy-5-methylphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(4-chloro-2-methoxy-5-methylphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 376.82 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(4-chloro-2-methoxy-5-methylphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108982429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).