5-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide

C14H14ClNO3 — CID 54913059

IUPAC5-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide
SMILESCC(c1ccccc1O)N(C)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C14H14ClNO3/c1-9(10-5-3-4-6-11(10)17)16(2)14(18)12-7-8-13(15)19-12/h3-9,17H,1-2H3
InChIKeyWHWCUAYVYJIBOG-UHFFFAOYSA-N
MW279.72 g/mol
LogP3.47
Rot. Bonds3

About 5-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide

5-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide (PubChem CID 54913059) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 5-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide
PubChem CID54913059
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name5-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide
SMILESCC(c1ccccc1O)N(C)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C14H14ClNO3/c1-9(10-5-3-4-6-11(10)17)16(2)14(18)12-7-8-13(15)19-12/h3-9,17H,1-2H3
InChIKeyWHWCUAYVYJIBOG-UHFFFAOYSA-N
XLogP3.47
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 54913499
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044537
5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide
CID 113219634
4-(chloromethyl)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 60949375
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61042835
5-chloro-N-methyl-N-(1-pyridin-3-ylethyl)furan-2-carboxamide
CID 86858321
3-[(5-chlorofuran-2-carbonyl)-methylamino]butanoic acid
CID 110836895
2,4-dibromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 103885573
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N,4-dimethylbenzamide
CID 106509859
3-chloro-N-[1-(2-hydroxyphenyl)ethyl]-4-iodo-N-methylbenzamide
CID 103867275
2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61043567
3-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 63798305

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide (CID 54913059) is 5-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide is CC(c1ccccc1O)N(C)C(=O)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide?
The InChIKey is WHWCUAYVYJIBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-9(10-5-3-4-6-11(10)17)16(2)14(18)12-7-8-13(15)19-12/h3-9,17H,1-2H3.
What are the key properties of 5-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide?
5-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide has a molecular weight of 279.72 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 54913059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).