5-chloro-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide

C14H14ClNO3 — CID 32754386

IUPAC5-chloro-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide
SMILESCc1cccc(OCCNC(=O)c2ccc(Cl)o2)c1
InChIInChI=1S/C14H14ClNO3/c1-10-3-2-4-11(9-10)18-8-7-16-14(17)12-5-6-13(15)19-12/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyVLZRNIHTGQSBFF-UHFFFAOYSA-N
MW279.72 g/mol
LogP3.05
Rot. Bonds5

About 5-chloro-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide

5-chloro-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide (PubChem CID 32754386) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 5-chloro-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide
PubChem CID32754386
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name5-chloro-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide
SMILESCc1cccc(OCCNC(=O)c2ccc(Cl)o2)c1
InChIInChI=1S/C14H14ClNO3/c1-10-3-2-4-11(9-10)18-8-7-16-14(17)12-5-6-13(15)19-12/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyVLZRNIHTGQSBFF-UHFFFAOYSA-N
XLogP3.05
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 102851528
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
2-bromo-4-chloro-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 103763433
4-chloro-N-[2-(3-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 18115644
3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 18115620
2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 114344196
3-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 104852569
6-chloro-N-[2-(3-methylphenoxy)ethyl]pyrazine-2-carboxamide
CID 103186858
2-(3-methylphenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899388
3-[2-(3-methylphenoxy)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369462
2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 86574521
3-(3-chloro-4-methylphenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 46679754

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide (CID 32754386) is 5-chloro-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide is Cc1cccc(OCCNC(=O)c2ccc(Cl)o2)c1.
What is the InChIKey of 5-chloro-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide?
The InChIKey is VLZRNIHTGQSBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-10-3-2-4-11(9-10)18-8-7-16-14(17)12-5-6-13(15)19-12/h2-6,9H,7-8H2,1H3,(H,16,17).
What are the key properties of 5-chloro-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide?
5-chloro-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide has a molecular weight of 279.72 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide is sourced from PubChem (CID 32754386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).