5-[(4-chloro-3-methylphenoxy)methyl]-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide

C19H20ClN3O3 — CID 35294139

IUPAC5-[(4-chloro-3-methylphenoxy)methyl]-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
SMILESCc1cc(OCc2ccc(C(=O)NCCCn3ccnc3)o2)ccc1Cl
InChIInChI=1S/C19H20ClN3O3/c1-14-11-15(3-5-17(14)20)25-12-16-4-6-18(26-16)19(24)22-7-2-9-23-10-8-21-13-23/h3-6,8,10-11,13H,2,7,9,12H2,1H3,(H,22,24)
InChIKeyVFTPWCSUXUBYLY-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.84
Rot. Bonds8

About 5-[(4-chloro-3-methylphenoxy)methyl]-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide

5-[(4-chloro-3-methylphenoxy)methyl]-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide (PubChem CID 35294139) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 5-[(4-chloro-3-methylphenoxy)methyl]-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chloro-3-methylphenoxy)methyl]-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
PubChem CID35294139
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name5-[(4-chloro-3-methylphenoxy)methyl]-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
SMILESCc1cc(OCc2ccc(C(=O)NCCCn3ccnc3)o2)ccc1Cl
InChIInChI=1S/C19H20ClN3O3/c1-14-11-15(3-5-17(14)20)25-12-16-4-6-18(26-16)19(24)22-7-2-9-23-10-8-21-13-23/h3-6,8,10-11,13H,2,7,9,12H2,1H3,(H,22,24)
InChIKeyVFTPWCSUXUBYLY-UHFFFAOYSA-N
XLogP3.84
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-imidazol-1-ylpropyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 9463031
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
CID 19417083
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
CID 19417132
5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide
CID 19416994
5-ethyl-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
CID 47027033
5-(chloromethyl)-N-(2-imidazol-1-ylethyl)furan-2-carboxamide
CID 82109593
5-[(4-chloro-3-methylphenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19417001
5-[(4-chloro-3-methylphenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 4605258
N-(3,4-dichlorophenyl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19450784
4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
CID 95747738
5-[(3-methyl-4-nitrophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 19332346
5-[(4-chloro-3-methylphenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)furan-2-carboxamide
CID 5151114

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3-methylphenoxy)methyl]-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-chloro-3-methylphenoxy)methyl]-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide (CID 35294139) is 5-[(4-chloro-3-methylphenoxy)methyl]-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chloro-3-methylphenoxy)methyl]-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-chloro-3-methylphenoxy)methyl]-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide is Cc1cc(OCc2ccc(C(=O)NCCCn3ccnc3)o2)ccc1Cl.
What is the InChIKey of 5-[(4-chloro-3-methylphenoxy)methyl]-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide?
The InChIKey is VFTPWCSUXUBYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-14-11-15(3-5-17(14)20)25-12-16-4-6-18(26-16)19(24)22-7-2-9-23-10-8-21-13-23/h3-6,8,10-11,13H,2,7,9,12H2,1H3,(H,22,24).
What are the key properties of 5-[(4-chloro-3-methylphenoxy)methyl]-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide?
5-[(4-chloro-3-methylphenoxy)methyl]-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3-methylphenoxy)methyl]-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide is sourced from PubChem (CID 35294139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).