N-[(2S)-2-(2-chlorophenoxy)butyl]-5-(hydroxymethyl)-3-methylfuran-2-carboxamide

C17H20ClNO4 — CID 124877623

IUPACN-[(2S)-2-(2-chlorophenoxy)butyl]-5-(hydroxymethyl)-3-methylfuran-2-carboxamide
SMILESCC[C@@H](CNC(=O)c1oc(CO)cc1C)Oc1ccccc1Cl
InChIInChI=1S/C17H20ClNO4/c1-3-12(22-15-7-5-4-6-14(15)18)9-19-17(21)16-11(2)8-13(10-20)23-16/h4-8,12,20H,3,9-10H2,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyVWAKQBWFJCSJNU-LBPRGKRZSA-N
MW337.80 g/mol
LogP3.32
Rot. Bonds7

About N-[(2S)-2-(2-chlorophenoxy)butyl]-5-(hydroxymethyl)-3-methylfuran-2-carboxamide

N-[(2S)-2-(2-chlorophenoxy)butyl]-5-(hydroxymethyl)-3-methylfuran-2-carboxamide (PubChem CID 124877623) has the molecular formula C17H20ClNO4 and a molecular weight of 337.80 g/mol. Its IUPAC name is N-[(2S)-2-(2-chlorophenoxy)butyl]-5-(hydroxymethyl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-chlorophenoxy)butyl]-5-(hydroxymethyl)-3-methylfuran-2-carboxamide
PubChem CID124877623
Molecular FormulaC17H20ClNO4
Molecular Weight337.80 g/mol
Exact Mass337.11
IUPAC NameN-[(2S)-2-(2-chlorophenoxy)butyl]-5-(hydroxymethyl)-3-methylfuran-2-carboxamide
SMILESCC[C@@H](CNC(=O)c1oc(CO)cc1C)Oc1ccccc1Cl
InChIInChI=1S/C17H20ClNO4/c1-3-12(22-15-7-5-4-6-14(15)18)9-19-17(21)16-11(2)8-13(10-20)23-16/h4-8,12,20H,3,9-10H2,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyVWAKQBWFJCSJNU-LBPRGKRZSA-N
XLogP3.32
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.80
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-(2-chlorophenoxy)butyl]-3-[(2R)-2-hydroxypropyl]urea
CID 99836600
3-amino-N-[2-(2-chlorophenoxy)butyl]propanamide
CID 119340532
N-[2-(2-chlorophenoxy)butyl]prop-2-enamide
CID 146089833
N-[2-(2-chlorophenoxy)butyl]-2-(methylamino)acetamide
CID 119813227
2-amino-N-[2-(2-chlorophenoxy)butyl]-3-methylpentanamide
CID 119813247
4-amino-N-[2-(2-chlorophenoxy)butyl]-3-methoxybutanamide;hydrochloride
CID 120593905
3-(2-chlorophenoxy)pentanoic acid
CID 114990652
2-amino-N-[2-(2-chlorophenoxy)butyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119957708
2-[[[2-(2-chlorophenoxy)butylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111968981
N-[2-(2-chlorophenoxy)butyl]piperidine-2-carboxamide
CID 119340528
1-[2-(2-chlorophenoxy)butyl]-2-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine;hydroiodide
CID 111981452
(2S)-2-(2-chlorophenoxy)butan-1-amine
CID 94266424

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-chlorophenoxy)butyl]-5-(hydroxymethyl)-3-methylfuran-2-carboxamide?
The IUPAC name of N-[(2S)-2-(2-chlorophenoxy)butyl]-5-(hydroxymethyl)-3-methylfuran-2-carboxamide (CID 124877623) is N-[(2S)-2-(2-chlorophenoxy)butyl]-5-(hydroxymethyl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(2-chlorophenoxy)butyl]-5-(hydroxymethyl)-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(2-chlorophenoxy)butyl]-5-(hydroxymethyl)-3-methylfuran-2-carboxamide is CC[C@@H](CNC(=O)c1oc(CO)cc1C)Oc1ccccc1Cl.
What is the InChIKey of N-[(2S)-2-(2-chlorophenoxy)butyl]-5-(hydroxymethyl)-3-methylfuran-2-carboxamide?
The InChIKey is VWAKQBWFJCSJNU-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20ClNO4/c1-3-12(22-15-7-5-4-6-14(15)18)9-19-17(21)16-11(2)8-13(10-20)23-16/h4-8,12,20H,3,9-10H2,1-2H3,(H,19,21)/t12-/m0/s1.
What are the key properties of N-[(2S)-2-(2-chlorophenoxy)butyl]-5-(hydroxymethyl)-3-methylfuran-2-carboxamide?
N-[(2S)-2-(2-chlorophenoxy)butyl]-5-(hydroxymethyl)-3-methylfuran-2-carboxamide has a molecular weight of 337.80 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-chlorophenoxy)butyl]-5-(hydroxymethyl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 124877623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).