1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide

C17H14ClF3N2O3 — CID 109134945

IUPAC1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(NCc1ccco1)C1CC1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H14ClF3N2O3/c18-14-4-3-9(6-13(14)17(19,20)21)23-16(25)12-7-11(12)15(24)22-8-10-2-1-5-26-10/h1-6,11-12H,7-8H2,(H,22,24)(H,23,25)
InChIKeyBMJVSXOCPUPBKV-UHFFFAOYSA-N
MW386.76 g/mol
LogP3.84
Rot. Bonds5

About 1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide

1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109134945) has the molecular formula C17H14ClF3N2O3 and a molecular weight of 386.76 g/mol. Its IUPAC name is 1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109134945
Molecular FormulaC17H14ClF3N2O3
Molecular Weight386.76 g/mol
Exact Mass386.06
IUPAC Name1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(NCc1ccco1)C1CC1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H14ClF3N2O3/c18-14-4-3-9(6-13(14)17(19,20)21)23-16(25)12-7-11(12)15(24)22-8-10-2-1-5-26-10/h1-6,11-12H,7-8H2,(H,22,24)(H,23,25)
InChIKeyBMJVSXOCPUPBKV-UHFFFAOYSA-N
XLogP3.84
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.76
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-chloro-4-fluorophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109134892
1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137304
2-N-butyl-1-N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109131383
2-N-(furan-2-ylmethyl)-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109134861
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9333443
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346273
6-[4-chloro-3-(trifluoromethyl)anilino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109155464
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(furan-2-yl)-N-methylpropanamide
CID 17461594
N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 3121382
2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide
CID 60598074
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide
CID 66267349
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetamide
CID 55606108

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide (CID 109134945) is 1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide is O=C(NCc1ccco1)C1CC1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is BMJVSXOCPUPBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O3/c18-14-4-3-9(6-13(14)17(19,20)21)23-16(25)12-7-11(12)15(24)22-8-10-2-1-5-26-10/h1-6,11-12H,7-8H2,(H,22,24)(H,23,25).
What are the key properties of 1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 386.76 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109134945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).