N-[3-(3-chloro-4-hydroxyphenoxy)propyl]furan-2-carboxamide

C14H14ClNO4 — CID 174406685

IUPACN-[3-(3-chloro-4-hydroxyphenoxy)propyl]furan-2-carboxamide
SMILESO=C(NCCCOc1ccc(O)c(Cl)c1)c1ccco1
InChIInChI=1S/C14H14ClNO4/c15-11-9-10(4-5-12(11)17)19-8-2-6-16-14(18)13-3-1-7-20-13/h1,3-5,7,9,17H,2,6,8H2,(H,16,18)
InChIKeyMBRLEMKJLPYIDY-UHFFFAOYSA-N
MW295.72 g/mol
LogP2.84
Rot. Bonds6

About N-[3-(3-chloro-4-hydroxyphenoxy)propyl]furan-2-carboxamide

N-[3-(3-chloro-4-hydroxyphenoxy)propyl]furan-2-carboxamide (PubChem CID 174406685) has the molecular formula C14H14ClNO4 and a molecular weight of 295.72 g/mol. Its IUPAC name is N-[3-(3-chloro-4-hydroxyphenoxy)propyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chloro-4-hydroxyphenoxy)propyl]furan-2-carboxamide
PubChem CID174406685
Molecular FormulaC14H14ClNO4
Molecular Weight295.72 g/mol
Exact Mass295.06
IUPAC NameN-[3-(3-chloro-4-hydroxyphenoxy)propyl]furan-2-carboxamide
SMILESO=C(NCCCOc1ccc(O)c(Cl)c1)c1ccco1
InChIInChI=1S/C14H14ClNO4/c15-11-9-10(4-5-12(11)17)19-8-2-6-16-14(18)13-3-1-7-20-13/h1,3-5,7,9,17H,2,6,8H2,(H,16,18)
InChIKeyMBRLEMKJLPYIDY-UHFFFAOYSA-N
XLogP2.84
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 52.84
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-[4-(3-chloro-4-hydroxyphenoxy)butan-2-yl]furan-2-carboxamide
CID 174383810
N-[3-(3-chloro-4-hydroxyphenoxy)propyl]benzamide
CID 174392041
N-[4-(3-chloro-4-hydroxyphenoxy)butyl]benzamide
CID 151448271
N-[3-(3-chloro-4-hydroxyphenoxy)propyl]quinoline-2-carboxamide
CID 174438145
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[2-(2-chloro-5-methylphenoxy)ethyl]furan-2-carboxamide
CID 113102801
N-[2-(2-chloro-4-fluorophenoxy)ethyl]furan-2-carboxamide
CID 113102920
N-[2-[7-[4-[8-[2-(furan-2-carbonylamino)ethyl]naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]furan-2-carboxamide
CID 18007930
N-(4-methoxybutyl)furan-2-carboxamide
CID 60769533
N-[3-(2-bromoethoxy)propyl]furan-2-carboxamide
CID 106307618
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide
CID 6490902
N-(4-aminobutyl)furan-2-carboxamide
CID 14423349

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-4-hydroxyphenoxy)propyl]furan-2-carboxamide?
The IUPAC name of N-[3-(3-chloro-4-hydroxyphenoxy)propyl]furan-2-carboxamide (CID 174406685) is N-[3-(3-chloro-4-hydroxyphenoxy)propyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(3-chloro-4-hydroxyphenoxy)propyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(3-chloro-4-hydroxyphenoxy)propyl]furan-2-carboxamide is O=C(NCCCOc1ccc(O)c(Cl)c1)c1ccco1.
What is the InChIKey of N-[3-(3-chloro-4-hydroxyphenoxy)propyl]furan-2-carboxamide?
The InChIKey is MBRLEMKJLPYIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4/c15-11-9-10(4-5-12(11)17)19-8-2-6-16-14(18)13-3-1-7-20-13/h1,3-5,7,9,17H,2,6,8H2,(H,16,18).
What are the key properties of N-[3-(3-chloro-4-hydroxyphenoxy)propyl]furan-2-carboxamide?
N-[3-(3-chloro-4-hydroxyphenoxy)propyl]furan-2-carboxamide has a molecular weight of 295.72 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloro-4-hydroxyphenoxy)propyl]furan-2-carboxamide is sourced from PubChem (CID 174406685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).