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

C15H16ClNO4 — CID 174383810

IUPACN-[4-(3-chloro-4-hydroxyphenoxy)butan-2-yl]furan-2-carboxamide
SMILESCC(CCOc1ccc(O)c(Cl)c1)NC(=O)c1ccco1
InChIInChI=1S/C15H16ClNO4/c1-10(17-15(19)14-3-2-7-21-14)6-8-20-11-4-5-13(18)12(16)9-11/h2-5,7,9-10,18H,6,8H2,1H3,(H,17,19)
InChIKeyKNVZTOKLOARGAG-UHFFFAOYSA-N
MW309.75 g/mol
LogP3.23
Rot. Bonds6

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

N-[4-(3-chloro-4-hydroxyphenoxy)butan-2-yl]furan-2-carboxamide (PubChem CID 174383810) has the molecular formula C15H16ClNO4 and a molecular weight of 309.75 g/mol. Its IUPAC name is N-[4-(3-chloro-4-hydroxyphenoxy)butan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-hydroxyphenoxy)butan-2-yl]furan-2-carboxamide
PubChem CID174383810
Molecular FormulaC15H16ClNO4
Molecular Weight309.75 g/mol
Exact Mass309.08
IUPAC NameN-[4-(3-chloro-4-hydroxyphenoxy)butan-2-yl]furan-2-carboxamide
SMILESCC(CCOc1ccc(O)c(Cl)c1)NC(=O)c1ccco1
InChIInChI=1S/C15H16ClNO4/c1-10(17-15(19)14-3-2-7-21-14)6-8-20-11-4-5-13(18)12(16)9-11/h2-5,7,9-10,18H,6,8H2,1H3,(H,17,19)
InChIKeyKNVZTOKLOARGAG-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-chloro-4-hydroxyphenoxy)propyl]furan-2-carboxamide
CID 174406685
N-[1-(4-propan-2-ylphenoxy)propan-2-yl]furan-2-carboxamide
CID 2918144
N-[(2S)-1-phenylpropan-2-yl]furan-2-carboxamide
CID 768448
N-[3-(3-methylbutoxy)phenyl]furan-2-carboxamide
CID 17097239
2-chloro-4-(2-methoxyethoxy)phenol
CID 125116302
N-[1-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16973543
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 113218177
2-chloro-4,5-difluoro-N-[4-(furan-2-yl)-4-oxobutan-2-yl]benzamide
CID 122148768
N-(1-chloro-4-methylpentan-3-yl)furan-2-carboxamide
CID 106354882
N-[(2S)-1-[2-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24537804
N-[1-oxo-1-[2-[3-(trifluoromethyl)phenoxy]ethylamino]propan-2-yl]furan-2-carboxamide
CID 51120496
N-[(2S)-1-[2-(4-tert-butylphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24548381

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-hydroxyphenoxy)butan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-(3-chloro-4-hydroxyphenoxy)butan-2-yl]furan-2-carboxamide (CID 174383810) is N-[4-(3-chloro-4-hydroxyphenoxy)butan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(3-chloro-4-hydroxyphenoxy)butan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-(3-chloro-4-hydroxyphenoxy)butan-2-yl]furan-2-carboxamide is CC(CCOc1ccc(O)c(Cl)c1)NC(=O)c1ccco1.
What is the InChIKey of N-[4-(3-chloro-4-hydroxyphenoxy)butan-2-yl]furan-2-carboxamide?
The InChIKey is KNVZTOKLOARGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4/c1-10(17-15(19)14-3-2-7-21-14)6-8-20-11-4-5-13(18)12(16)9-11/h2-5,7,9-10,18H,6,8H2,1H3,(H,17,19).
What are the key properties of N-[4-(3-chloro-4-hydroxyphenoxy)butan-2-yl]furan-2-carboxamide?
N-[4-(3-chloro-4-hydroxyphenoxy)butan-2-yl]furan-2-carboxamide has a molecular weight of 309.75 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-hydroxyphenoxy)butan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 174383810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).