5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide

C15H16ClNO4 — CID 19416994

IUPAC5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide
SMILESCc1cc(OCc2ccc(C(=O)NCCO)o2)ccc1Cl
InChIInChI=1S/C15H16ClNO4/c1-10-8-11(2-4-13(10)16)20-9-12-3-5-14(21-12)15(19)17-6-7-18/h2-5,8,18H,6-7,9H2,1H3,(H,17,19)
InChIKeyNXBDEAPZMIMRNH-UHFFFAOYSA-N
MW309.75 g/mol
LogP2.54
Rot. Bonds6

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

5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide (PubChem CID 19416994) has the molecular formula C15H16ClNO4 and a molecular weight of 309.75 g/mol. Its IUPAC name is 5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide
PubChem CID19416994
Molecular FormulaC15H16ClNO4
Molecular Weight309.75 g/mol
Exact Mass309.08
IUPAC Name5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide
SMILESCc1cc(OCc2ccc(C(=O)NCCO)o2)ccc1Cl
InChIInChI=1S/C15H16ClNO4/c1-10-8-11(2-4-13(10)16)20-9-12-3-5-14(21-12)15(19)17-6-7-18/h2-5,8,18H,6-7,9H2,1H3,(H,17,19)
InChIKeyNXBDEAPZMIMRNH-UHFFFAOYSA-N
XLogP2.54
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-chloro-3-methylphenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide
CID 110279750
5-[(3,4-dimethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
CID 19450857
5-[(4-chloro-3-methylphenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 4605258
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
CID 19417083
5-[(4-chloro-3-methylphenoxy)methyl]-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
CID 35294139
5-[(4-chloro-3-methylphenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19417001
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
CID 19417132
N-(4-acetylphenyl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
CID 19416966
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]benzoate
CID 4050771
5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-chloro-3-pyridinyl)furan-2-carboxamide
CID 1084332
5-[(4-chloro-3-methylphenoxy)methyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide
CID 45147566

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide (CID 19416994) is 5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide is Cc1cc(OCc2ccc(C(=O)NCCO)o2)ccc1Cl.
What is the InChIKey of 5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide?
The InChIKey is NXBDEAPZMIMRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4/c1-10-8-11(2-4-13(10)16)20-9-12-3-5-14(21-12)15(19)17-6-7-18/h2-5,8,18H,6-7,9H2,1H3,(H,17,19).
What are the key properties of 5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide?
5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide has a molecular weight of 309.75 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide is sourced from PubChem (CID 19416994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).