2-N-[(4-fluorophenyl)methyl]-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide

C19H19FN2O2 — CID 109136072

IUPAC2-N-[(4-fluorophenyl)methyl]-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
SMILESCN(C(=O)C1CC1C(=O)NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H19FN2O2/c1-22(15-5-3-2-4-6-15)19(24)17-11-16(17)18(23)21-12-13-7-9-14(20)10-8-13/h2-10,16-17H,11-12H2,1H3,(H,21,23)
InChIKeyBOPNUDGXHXXKBO-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.74
Rot. Bonds5

About 2-N-[(4-fluorophenyl)methyl]-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide

2-N-[(4-fluorophenyl)methyl]-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide (PubChem CID 109136072) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 2-N-[(4-fluorophenyl)methyl]-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[(4-fluorophenyl)methyl]-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
PubChem CID109136072
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name2-N-[(4-fluorophenyl)methyl]-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
SMILESCN(C(=O)C1CC1C(=O)NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H19FN2O2/c1-22(15-5-3-2-4-6-15)19(24)17-11-16(17)18(23)21-12-13-7-9-14(20)10-8-13/h2-10,16-17H,11-12H2,1H3,(H,21,23)
InChIKeyBOPNUDGXHXXKBO-UHFFFAOYSA-N
XLogP2.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60792836
N-[(4-fluorophenyl)methyl]-N'-methyl-N'-phenyloxamide
CID 87039327
cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
CID 51776902
2-N-tert-butyl-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109139590
1-N-(3-acetamidophenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136122
1-N-(2-ethoxyphenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136109
2-N-[2-(1H-indol-3-yl)ethyl]-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109138511
2-[(4-fluorophenyl)methylamino]-N-methyl-N-phenylacetamide
CID 108997751
1-N-benzyl-1-N-ethyl-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135445
2-[(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 2933604
cis-(1R,2S)-2-[(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 887867
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-fluorophenyl)methyl]-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-[(4-fluorophenyl)methyl]-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide (CID 109136072) is 2-N-[(4-fluorophenyl)methyl]-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[(4-fluorophenyl)methyl]-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-[(4-fluorophenyl)methyl]-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide is CN(C(=O)C1CC1C(=O)NCc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 2-N-[(4-fluorophenyl)methyl]-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide?
The InChIKey is BOPNUDGXHXXKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-22(15-5-3-2-4-6-15)19(24)17-11-16(17)18(23)21-12-13-7-9-14(20)10-8-13/h2-10,16-17H,11-12H2,1H3,(H,21,23).
What are the key properties of 2-N-[(4-fluorophenyl)methyl]-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide?
2-N-[(4-fluorophenyl)methyl]-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide has a molecular weight of 326.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-fluorophenyl)methyl]-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109136072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).