5-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]furan-2-carboxamide

C19H19ClN4O5 — CID 19463558

IUPAC5-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]furan-2-carboxamide
SMILESCc1ccnn1CCCNC(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2Cl)o1
InChIInChI=1S/C19H19ClN4O5/c1-13-7-9-22-23(13)10-2-8-21-19(25)18-6-4-15(29-18)12-28-17-5-3-14(24(26)27)11-16(17)20/h3-7,9,11H,2,8,10,12H2,1H3,(H,21,25)
InChIKeyMXEWCBOAYLBBJV-UHFFFAOYSA-N
MW418.84 g/mol
LogP3.75
Rot. Bonds9

About 5-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]furan-2-carboxamide

5-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]furan-2-carboxamide (PubChem CID 19463558) has the molecular formula C19H19ClN4O5 and a molecular weight of 418.84 g/mol. Its IUPAC name is 5-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]furan-2-carboxamide
PubChem CID19463558
Molecular FormulaC19H19ClN4O5
Molecular Weight418.84 g/mol
Exact Mass418.10
IUPAC Name5-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]furan-2-carboxamide
SMILESCc1ccnn1CCCNC(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2Cl)o1
InChIInChI=1S/C19H19ClN4O5/c1-13-7-9-22-23(13)10-2-8-21-19(25)18-6-4-15(29-18)12-28-17-5-3-14(24(26)27)11-16(17)20/h3-7,9,11H,2,8,10,12H2,1H3,(H,21,25)
InChIKeyMXEWCBOAYLBBJV-UHFFFAOYSA-N
XLogP3.75
TPSA112.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.84
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-chloro-5-nitrophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]furan-2-carboxamide
CID 19459621
5-[(2-chloro-4-nitrophenoxy)methyl]-N-(1,5-dimethylpyrazol-4-yl)furan-2-carboxamide
CID 19461860
4-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]benzamide
CID 19332121
5-[(2-chloro-4-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 19461875
N-[3-(5-methylpyrazol-1-yl)propyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19327822
5-[(2-chloro-4-nitrophenoxy)methyl]-N-(4-cyano-1-methylpyrazol-5-yl)furan-2-carboxamide
CID 19463617
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19295432
5-[(2-chloro-4-nitrophenoxy)methyl]-N-(4-nitrophenyl)furan-2-carboxamide
CID 19461760
5-[(4-bromo-2-chlorophenoxy)methyl]-N-[2-(4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 19281797
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19330046
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]furan-2-carboxamide
CID 19295718
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]furan-2-carboxamide
CID 19326057

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]furan-2-carboxamide?
The IUPAC name of 5-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]furan-2-carboxamide (CID 19463558) is 5-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]furan-2-carboxamide is Cc1ccnn1CCCNC(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2Cl)o1.
What is the InChIKey of 5-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]furan-2-carboxamide?
The InChIKey is MXEWCBOAYLBBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O5/c1-13-7-9-22-23(13)10-2-8-21-19(25)18-6-4-15(29-18)12-28-17-5-3-14(24(26)27)11-16(17)20/h3-7,9,11H,2,8,10,12H2,1H3,(H,21,25).
What are the key properties of 5-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]furan-2-carboxamide?
5-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]furan-2-carboxamide has a molecular weight of 418.84 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]furan-2-carboxamide is sourced from PubChem (CID 19463558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).