5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide

C14H14ClNO3 — CID 16651453

IUPAC5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)cc1C(=O)NCCO
InChIInChI=1S/C14H14ClNO3/c1-9-12(14(18)16-6-7-17)8-13(19-9)10-2-4-11(15)5-3-10/h2-5,8,17H,6-7H2,1H3,(H,16,18)
InChIKeyJFOYUABHBMVZHG-UHFFFAOYSA-N
MW279.72 g/mol
LogP2.63
Rot. Bonds4

About 5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide

5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide (PubChem CID 16651453) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide
PubChem CID16651453
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)cc1C(=O)NCCO
InChIInChI=1S/C14H14ClNO3/c1-9-12(14(18)16-6-7-17)8-13(19-9)10-2-4-11(15)5-3-10/h2-5,8,17H,6-7H2,1H3,(H,16,18)
InChIKeyJFOYUABHBMVZHG-UHFFFAOYSA-N
XLogP2.63
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide
CID 16651429
5-(4-bromophenyl)-N-[(4-chlorophenyl)methyl]-2-methylfuran-3-carboxamide
CID 16651520
5-(4-chlorophenyl)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide
CID 42107591
5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 115532800
N-(2-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 2742801
N-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 16651378
5-(4-chlorophenyl)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 155515471
2-[6-[[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]methyl]naphthalen-2-yl]oxyacetic acid
CID 10204236
5-(4-chlorophenyl)-N-(3-fluorophenyl)-2-methylfuran-3-carboxamide
CID 16651382
ethyl 2-[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
CID 16651463
[5-(4-chlorophenyl)-2-methylfuran-3-yl]methanol
CID 7245332
2-methyl-N,5-bis(4-methylphenyl)furan-3-carboxamide
CID 16650715

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide (CID 16651453) is 5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide is Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)NCCO.
What is the InChIKey of 5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide?
The InChIKey is JFOYUABHBMVZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-9-12(14(18)16-6-7-17)8-13(19-9)10-2-4-11(15)5-3-10/h2-5,8,17H,6-7H2,1H3,(H,16,18).
What are the key properties of 5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide?
5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide has a molecular weight of 279.72 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 16651453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).