1-N-(3-acetamidophenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide

C20H20FN3O3 — CID 109136122

IUPAC1-N-(3-acetamidophenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CC2C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C20H20FN3O3/c1-12(25)23-15-3-2-4-16(9-15)24-20(27)18-10-17(18)19(26)22-11-13-5-7-14(21)8-6-13/h2-9,17-18H,10-11H2,1H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyRMHQQFGKAAHFTG-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.68
Rot. Bonds6

About 1-N-(3-acetamidophenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide

1-N-(3-acetamidophenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109136122) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 1-N-(3-acetamidophenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-acetamidophenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
PubChem CID109136122
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name1-N-(3-acetamidophenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CC2C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C20H20FN3O3/c1-12(25)23-15-3-2-4-16(9-15)24-20(27)18-10-17(18)19(26)22-11-13-5-7-14(21)8-6-13/h2-9,17-18H,10-11H2,1H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyRMHQQFGKAAHFTG-UHFFFAOYSA-N
XLogP2.68
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-acetamidophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135544
1-N-(3-acetamidophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137772
1-N-(4-fluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137244
1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136136
methyl 4-[[2-[(4-fluorophenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109136126
4-N-(3-acetylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148460
2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60792836
1-N-(3-chlorophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137746
2-N-benzyl-1-N-(3-bromophenyl)cyclopropane-1,2-dicarboxamide
CID 109135103
1-N-(3-fluorophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130579
1-N-(2-ethoxyphenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136109
2-N-(1,3-benzodioxol-5-ylmethyl)-1-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109136698

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-acetamidophenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-acetamidophenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide (CID 109136122) is 1-N-(3-acetamidophenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-acetamidophenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-acetamidophenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide is CC(=O)Nc1cccc(NC(=O)C2CC2C(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of 1-N-(3-acetamidophenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is RMHQQFGKAAHFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-12(25)23-15-3-2-4-16(9-15)24-20(27)18-10-17(18)19(26)22-11-13-5-7-14(21)8-6-13/h2-9,17-18H,10-11H2,1H3,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of 1-N-(3-acetamidophenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide?
1-N-(3-acetamidophenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 369.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-acetamidophenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109136122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).