N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide

C15H13ClF3NO3 — CID 647424

IUPACN-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(COCC(F)(F)F)o1
InChIInChI=1S/C15H13ClF3NO3/c16-11-3-1-10(2-4-11)7-20-14(21)13-6-5-12(23-13)8-22-9-15(17,18)19/h1-6H,7-9H2,(H,20,21)
InChIKeyKHULSHGRJAONSY-UHFFFAOYSA-N
MW347.72 g/mol
LogP3.94
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide

N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide (PubChem CID 647424) has the molecular formula C15H13ClF3NO3 and a molecular weight of 347.72 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide
PubChem CID647424
Molecular FormulaC15H13ClF3NO3
Molecular Weight347.72 g/mol
Exact Mass347.05
IUPAC NameN-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(COCC(F)(F)F)o1
InChIInChI=1S/C15H13ClF3NO3/c16-11-3-1-10(2-4-11)7-20-14(21)13-6-5-12(23-13)8-22-9-15(17,18)19/h1-6H,7-9H2,(H,20,21)
InChIKeyKHULSHGRJAONSY-UHFFFAOYSA-N
XLogP3.94
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.72
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-Chlorophenyl)-2-furoyl]piperazine
CID 24857857
5-[(4-chloro-3-methylphenoxy)methyl]-N,N-diethylfuran-2-carboxamide
CID 892508
5-(3-chlorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 944598
5-[(4-methylphenoxy)methyl]-N-propyl-2-furamide
CID 2200397
N-[2-[(2-chlorobenzoyl)amino]ethyl]furan-2-carboxamide
CID 2206515
[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
CID 2430380
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 5-methylfuran-2-carboxylate
CID 2559682
N-[(4-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 6463437
N-(2-{[(2,4-dichlorophenyl)carbonyl]amino}ethyl)furan-2-carboxamide
CID 6490898
N-{2-[(3,4-dichlorobenzoyl)amino]ethyl}-2-furamide
CID 6490902
5-(4-chlorophenyl)-N-cyclohexyl-2-furamide
CID 18230215
N-cyclohexyl-5-[(2,2,2-trifluoroethoxy)methyl]-2-furamide
CID 893108

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide (CID 647424) is N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide is O=C(NCc1ccc(Cl)cc1)c1ccc(COCC(F)(F)F)o1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide?
The InChIKey is KHULSHGRJAONSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO3/c16-11-3-1-10(2-4-11)7-20-14(21)13-6-5-12(23-13)8-22-9-15(17,18)19/h1-6H,7-9H2,(H,20,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide?
N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide has a molecular weight of 347.72 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 647424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).