1-N-(3-chloro-4-fluorophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide

C16H14ClFN2O3 — CID 109134892

IUPAC1-N-(3-chloro-4-fluorophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(NCc1ccco1)C1CC1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H14ClFN2O3/c17-13-6-9(3-4-14(13)18)20-16(22)12-7-11(12)15(21)19-8-10-2-1-5-23-10/h1-6,11-12H,7-8H2,(H,19,21)(H,20,22)
InChIKeyCMTHTMYARUJIPL-UHFFFAOYSA-N
MW336.75 g/mol
LogP2.96
Rot. Bonds5

About 1-N-(3-chloro-4-fluorophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide

1-N-(3-chloro-4-fluorophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109134892) has the molecular formula C16H14ClFN2O3 and a molecular weight of 336.75 g/mol. Its IUPAC name is 1-N-(3-chloro-4-fluorophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chloro-4-fluorophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109134892
Molecular FormulaC16H14ClFN2O3
Molecular Weight336.75 g/mol
Exact Mass336.07
IUPAC Name1-N-(3-chloro-4-fluorophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(NCc1ccco1)C1CC1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H14ClFN2O3/c17-13-6-9(3-4-14(13)18)20-16(22)12-7-11(12)15(21)19-8-10-2-1-5-23-10/h1-6,11-12H,7-8H2,(H,19,21)(H,20,22)
InChIKeyCMTHTMYARUJIPL-UHFFFAOYSA-N
XLogP2.96
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109134945
1-N-(3-chloro-4-fluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137252
N-(3-chloro-4-fluorophenyl)-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide
CID 670594
2-N-(furan-2-ylmethyl)-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109134861
2-N-[(2-chlorophenyl)methyl]-1-N-(3,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109136278
2-N-(3-chloro-4-fluorophenyl)-1-N-(4-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143094
1-N-(3-chloro-4-fluorophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 109143222
2-(2-fluorophenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
CID 134050621
6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346391
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide
CID 110625443
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 99872764
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 51291702

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chloro-4-fluorophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-chloro-4-fluorophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide (CID 109134892) is 1-N-(3-chloro-4-fluorophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-chloro-4-fluorophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-chloro-4-fluorophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide is O=C(NCc1ccco1)C1CC1C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-N-(3-chloro-4-fluorophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is CMTHTMYARUJIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O3/c17-13-6-9(3-4-14(13)18)20-16(22)12-7-11(12)15(21)19-8-10-2-1-5-23-10/h1-6,11-12H,7-8H2,(H,19,21)(H,20,22).
What are the key properties of 1-N-(3-chloro-4-fluorophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
1-N-(3-chloro-4-fluorophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 336.75 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chloro-4-fluorophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109134892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).