5-[(2-chloro-4-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide

C15H15ClN2O5 — CID 19461875

IUPAC5-[(2-chloro-4-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2Cl)o1
InChIInChI=1S/C15H15ClN2O5/c1-9(2)17-15(19)14-6-4-11(23-14)8-22-13-5-3-10(18(20)21)7-12(13)16/h3-7,9H,8H2,1-2H3,(H,17,19)
InChIKeyQOIZASMXOGSEMZ-UHFFFAOYSA-N
MW338.75 g/mol
LogP3.56
Rot. Bonds6

About 5-[(2-chloro-4-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide

5-[(2-chloro-4-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide (PubChem CID 19461875) has the molecular formula C15H15ClN2O5 and a molecular weight of 338.75 g/mol. Its IUPAC name is 5-[(2-chloro-4-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
PubChem CID19461875
Molecular FormulaC15H15ClN2O5
Molecular Weight338.75 g/mol
Exact Mass338.07
IUPAC Name5-[(2-chloro-4-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2Cl)o1
InChIInChI=1S/C15H15ClN2O5/c1-9(2)17-15(19)14-6-4-11(23-14)8-22-13-5-3-10(18(20)21)7-12(13)16/h3-7,9H,8H2,1-2H3,(H,17,19)
InChIKeyQOIZASMXOGSEMZ-UHFFFAOYSA-N
XLogP3.56
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-butan-2-ylphenyl)propyl]-5-[(2-chloro-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461862
5-[(2-chloro-4-nitrophenoxy)methyl]-N-(4-nitrophenyl)furan-2-carboxamide
CID 19461760
5-[(2-chloro-4-nitrophenoxy)methyl]-N-[1-(4-methylphenyl)propyl]furan-2-carboxamide
CID 19461861
5-[(2-chloro-4-nitrophenoxy)methyl]-N-[1-(dipentylamino)propan-2-yl]furan-2-carboxamide
CID 19461877
5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 6458696
5-[(2-chloro-4-nitrophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
CID 19461798
5-[(2-chloro-4-nitrophenoxy)methyl]-N-(1,5-dimethylpyrazol-4-yl)furan-2-carboxamide
CID 19461860
5-[(2-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 19446371
5-[(2-chloro-4-nitrophenoxy)methyl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19461879
5-[(2-chloro-4-nitrophenoxy)methyl]-N-(4-cyano-1-methylpyrazol-5-yl)furan-2-carboxamide
CID 19463617
5-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]furan-2-carboxamide
CID 19463558
propan-2-yl 5-carbamoyl-2-[[5-[(2-chloro-4-nitrophenoxy)methyl]furan-2-carbonyl]amino]-4-methylthiophene-3-carboxylate
CID 19461825

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide?
The IUPAC name of 5-[(2-chloro-4-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide (CID 19461875) is 5-[(2-chloro-4-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide is CC(C)NC(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2Cl)o1.
What is the InChIKey of 5-[(2-chloro-4-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide?
The InChIKey is QOIZASMXOGSEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O5/c1-9(2)17-15(19)14-6-4-11(23-14)8-22-13-5-3-10(18(20)21)7-12(13)16/h3-7,9H,8H2,1-2H3,(H,17,19).
What are the key properties of 5-[(2-chloro-4-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide?
5-[(2-chloro-4-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 338.75 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 19461875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).