2-(2-fluorophenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide

C22H20FN3O3 — CID 134050621

IUPAC2-(2-fluorophenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccco1)Nc1ccc(NC(=O)C2CC2c2ccccc2F)cc1
InChIInChI=1S/C22H20FN3O3/c23-20-6-2-1-5-17(20)18-12-19(18)21(27)25-14-7-9-15(10-8-14)26-22(28)24-13-16-4-3-11-29-16/h1-11,18-19H,12-13H2,(H,25,27)(H2,24,26,28)
InChIKeyAJMUREAOIOWUMI-UHFFFAOYSA-N
MW393.42 g/mol
LogP4.48
Rot. Bonds6

About 2-(2-fluorophenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide

2-(2-fluorophenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide (PubChem CID 134050621) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
PubChem CID134050621
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Name2-(2-fluorophenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccco1)Nc1ccc(NC(=O)C2CC2c2ccccc2F)cc1
InChIInChI=1S/C22H20FN3O3/c23-20-6-2-1-5-17(20)18-12-19(18)21(27)25-14-7-9-15(10-8-14)26-22(28)24-13-16-4-3-11-29-16/h1-11,18-19H,12-13H2,(H,25,27)(H2,24,26,28)
InChIKeyAJMUREAOIOWUMI-UHFFFAOYSA-N
XLogP4.48
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[[2-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]furan-2-carboxamide
CID 134000496
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide
CID 35334881
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 51291702
1-N-(3-chloro-4-fluorophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109134892
2-(4-fluorophenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]acetamide
CID 35335065
cis-(1R,2S)-2-(2-fluorophenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropane-1-carboxamide
CID 95343398
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2,2-diphenylacetamide
CID 35335039
2-(2-fluorophenyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 78831616
2-(1-adamantyl)-N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]acetamide
CID 29367404
1-[2-(2-fluorophenyl)cyclopropyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
CID 110938675
2-(2-fluorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide
CID 134009901
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 86885500

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide (CID 134050621) is 2-(2-fluorophenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide is O=C(NCc1ccco1)Nc1ccc(NC(=O)C2CC2c2ccccc2F)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide?
The InChIKey is AJMUREAOIOWUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c23-20-6-2-1-5-17(20)18-12-19(18)21(27)25-14-7-9-15(10-8-14)26-22(28)24-13-16-4-3-11-29-16/h1-11,18-19H,12-13H2,(H,25,27)(H2,24,26,28).
What are the key properties of 2-(2-fluorophenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide?
2-(2-fluorophenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 4.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 134050621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).