4-(2,3-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide

C16H17Cl2NO4 — CID 86850793

IUPAC4-(2,3-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide
SMILESO=C(CCCOc1cccc(Cl)c1Cl)NCC(O)c1ccco1
InChIInChI=1S/C16H17Cl2NO4/c17-11-4-1-5-14(16(11)18)23-9-3-7-15(21)19-10-12(20)13-6-2-8-22-13/h1-2,4-6,8,12,20H,3,7,9-10H2,(H,19,21)
InChIKeyFOSPOCBIEQAEFM-UHFFFAOYSA-N
MW358.22 g/mol
LogP3.60
Rot. Bonds8

About 4-(2,3-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide

4-(2,3-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide (PubChem CID 86850793) has the molecular formula C16H17Cl2NO4 and a molecular weight of 358.22 g/mol. Its IUPAC name is 4-(2,3-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide.

Molecular Properties

Compound Name4-(2,3-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide
PubChem CID86850793
Molecular FormulaC16H17Cl2NO4
Molecular Weight358.22 g/mol
Exact Mass357.05
IUPAC Name4-(2,3-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide
SMILESO=C(CCCOc1cccc(Cl)c1Cl)NCC(O)c1ccco1
InChIInChI=1S/C16H17Cl2NO4/c17-11-4-1-5-14(16(11)18)23-9-3-7-15(21)19-10-12(20)13-6-2-8-22-13/h1-2,4-6,8,12,20H,3,7,9-10H2,(H,19,21)
InChIKeyFOSPOCBIEQAEFM-UHFFFAOYSA-N
XLogP3.60
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxyethyl]-4-naphthalen-1-yloxybutanamide
CID 110891752
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methoxybutanamide
CID 110899101
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]pentanediamide
CID 111102313
4-(2,3-dichlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120653975
4-(2,3-dichlorophenoxy)-N-[2-(ethylamino)ethyl]butanamide
CID 119508138
N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide
CID 76870753
4-(2-bromophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 51952483
2-(4-chlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 110889268
3-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]propanamide
CID 119305092
1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111508519
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenoxy)butanamide
CID 134018677
2-(2-ethylphenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 86981092

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide?
The IUPAC name of 4-(2,3-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide (CID 86850793) is 4-(2,3-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide.
What is the SMILES notation for 4-(2,3-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide?
The canonical SMILES for 4-(2,3-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide is O=C(CCCOc1cccc(Cl)c1Cl)NCC(O)c1ccco1.
What is the InChIKey of 4-(2,3-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide?
The InChIKey is FOSPOCBIEQAEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO4/c17-11-4-1-5-14(16(11)18)23-9-3-7-15(21)19-10-12(20)13-6-2-8-22-13/h1-2,4-6,8,12,20H,3,7,9-10H2,(H,19,21).
What are the key properties of 4-(2,3-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide?
4-(2,3-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide has a molecular weight of 358.22 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide is sourced from PubChem (CID 86850793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).