1-N'-butan-2-yl-1-N-(3-chloro-4-fluorophenyl)cyclopropane-1,1-dicarboxamide

C15H18ClFN2O2 — CID 108971482

IUPAC1-N'-butan-2-yl-1-N-(3-chloro-4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCCC(C)NC(=O)C1(C(=O)Nc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C15H18ClFN2O2/c1-3-9(2)18-13(20)15(6-7-15)14(21)19-10-4-5-12(17)11(16)8-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyKWKHIJVJHJEBQX-UHFFFAOYSA-N
MW312.77 g/mol
LogP3.11
Rot. Bonds5

About 1-N'-butan-2-yl-1-N-(3-chloro-4-fluorophenyl)cyclopropane-1,1-dicarboxamide

1-N'-butan-2-yl-1-N-(3-chloro-4-fluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108971482) has the molecular formula C15H18ClFN2O2 and a molecular weight of 312.77 g/mol. Its IUPAC name is 1-N'-butan-2-yl-1-N-(3-chloro-4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-butan-2-yl-1-N-(3-chloro-4-fluorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108971482
Molecular FormulaC15H18ClFN2O2
Molecular Weight312.77 g/mol
Exact Mass312.10
IUPAC Name1-N'-butan-2-yl-1-N-(3-chloro-4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCCC(C)NC(=O)C1(C(=O)Nc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C15H18ClFN2O2/c1-3-9(2)18-13(20)15(6-7-15)14(21)19-10-4-5-12(17)11(16)8-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyKWKHIJVJHJEBQX-UHFFFAOYSA-N
XLogP3.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 53.11
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-butan-2-yl-3-(3-chloro-4-fluorophenyl)urea
CID 2951179
1-N'-(3-chloro-4-fluorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980871
1-N'-butan-2-yl-1-N-(2-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108971473
1-(4-acetylpiperazine-1-carbonyl)-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
CID 108974500
1-N'-butan-2-yl-1-N-(5-chloro-2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108971485
1-N-(3-chloro-4-fluorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982168
3-(butan-2-ylamino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 109013179
N-(3-chloro-4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971674
1-N-(3-chloro-4-fluorophenyl)-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981242
1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-(3-chloro-4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982828
1-N'-butan-2-yl-1-N-(2,3-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108971543
1-N'-benzyl-1-N-(3-chloro-4-fluorophenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108976566

Frequently Asked Questions

What is the IUPAC name of 1-N'-butan-2-yl-1-N-(3-chloro-4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-butan-2-yl-1-N-(3-chloro-4-fluorophenyl)cyclopropane-1,1-dicarboxamide (CID 108971482) is 1-N'-butan-2-yl-1-N-(3-chloro-4-fluorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-butan-2-yl-1-N-(3-chloro-4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-butan-2-yl-1-N-(3-chloro-4-fluorophenyl)cyclopropane-1,1-dicarboxamide is CCC(C)NC(=O)C1(C(=O)Nc2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 1-N'-butan-2-yl-1-N-(3-chloro-4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is KWKHIJVJHJEBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O2/c1-3-9(2)18-13(20)15(6-7-15)14(21)19-10-4-5-12(17)11(16)8-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 1-N'-butan-2-yl-1-N-(3-chloro-4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
1-N'-butan-2-yl-1-N-(3-chloro-4-fluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 312.77 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-butan-2-yl-1-N-(3-chloro-4-fluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108971482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).