N-[2-(2-chlorophenoxy)ethyl]-5-methylfuran-3-carboxamide

C14H14ClNO3 — CID 3150911

IUPACN-[2-(2-chlorophenoxy)ethyl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCOc2ccccc2Cl)co1
InChIInChI=1S/C14H14ClNO3/c1-10-8-11(9-19-10)14(17)16-6-7-18-13-5-3-2-4-12(13)15/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKeyISUSRWDLWVOGPA-UHFFFAOYSA-N
MW279.72 g/mol
LogP3.05
Rot. Bonds5

About N-[2-(2-chlorophenoxy)ethyl]-5-methylfuran-3-carboxamide

N-[2-(2-chlorophenoxy)ethyl]-5-methylfuran-3-carboxamide (PubChem CID 3150911) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-5-methylfuran-3-carboxamide
PubChem CID3150911
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCOc2ccccc2Cl)co1
InChIInChI=1S/C14H14ClNO3/c1-10-8-11(9-19-10)14(17)16-6-7-18-13-5-3-2-4-12(13)15/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKeyISUSRWDLWVOGPA-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'}

Analyze N-[2-(2-chlorophenoxy)ethyl]-5-methylfuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-chlorophenoxy)ethyl]-6-methoxynaphthalene-2-carboxamide
CID 5302938
3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide
CID 113099351
N-[2-(2-chlorophenoxy)ethyl]-4-fluorobenzamide
CID 99711043
N-[2-(2-chlorophenoxy)ethyl]-3,5-dinitrobenzamide;methane
CID 158874069
1-N,3-N-bis[2-(2-chlorophenoxy)ethyl]-5-nitrobenzene-1,3-dicarboxamide
CID 3710842
N-[2-(2-chlorophenoxy)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 6459476
1-[2-(2-chlorophenoxy)ethyl]-3-(3-methylphenyl)urea
CID 112970623
3,4-dichloro-N-[2-(2,3-dimethylphenoxy)ethyl]benzamide
CID 113100933
N-[2-(2-chloro-5-methylphenoxy)ethyl]furan-2-carboxamide
CID 113102801
N-(2-cyanoethyl)-5-methylfuran-3-carboxamide
CID 114820618
1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea
CID 2972238
5-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide
CID 114819329

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-5-methylfuran-3-carboxamide?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-5-methylfuran-3-carboxamide (CID 3150911) is N-[2-(2-chlorophenoxy)ethyl]-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-5-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-5-methylfuran-3-carboxamide is Cc1cc(C(=O)NCCOc2ccccc2Cl)co1.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-5-methylfuran-3-carboxamide?
The InChIKey is ISUSRWDLWVOGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-10-8-11(9-19-10)14(17)16-6-7-18-13-5-3-2-4-12(13)15/h2-5,8-9H,6-7H2,1H3,(H,16,17).
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-5-methylfuran-3-carboxamide?
N-[2-(2-chlorophenoxy)ethyl]-5-methylfuran-3-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 N-[2-(2-chlorophenoxy)ethyl]-5-methylfuran-3-carboxamide is sourced from PubChem (CID 3150911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).