2-chloro-N-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]furan-3-carboxamide

C16H14ClNO3 — CID 106688717

IUPAC2-chloro-N-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]furan-3-carboxamide
SMILESO=C(NCc1cccc(C#CCCO)c1)c1ccoc1Cl
InChIInChI=1S/C16H14ClNO3/c17-15-14(7-9-21-15)16(20)18-11-13-6-3-5-12(10-13)4-1-2-8-19/h3,5-7,9-10,19H,2,8,11H2,(H,18,20)
InChIKeyJGMFVRFENXFXHP-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.60
Rot. Bonds4

About 2-chloro-N-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]furan-3-carboxamide

2-chloro-N-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]furan-3-carboxamide (PubChem CID 106688717) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-chloro-N-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]furan-3-carboxamide
PubChem CID106688717
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name2-chloro-N-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]furan-3-carboxamide
SMILESO=C(NCc1cccc(C#CCCO)c1)c1ccoc1Cl
InChIInChI=1S/C16H14ClNO3/c17-15-14(7-9-21-15)16(20)18-11-13-6-3-5-12(10-13)4-1-2-8-19/h3,5-7,9-10,19H,2,8,11H2,(H,18,20)
InChIKeyJGMFVRFENXFXHP-UHFFFAOYSA-N
XLogP2.60
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide
CID 106688723
N-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]-1-methylpyrazole-3-carboxamide
CID 103121255
N-[(3-carbamothioylphenyl)methyl]-2-chlorofuran-3-carboxamide
CID 106684933
1-(4-hydroxybut-1-ynyl)-3-[(sulfamoylamino)methyl]benzene
CID 114959491
N-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]-3-methoxy-3-methylbutanamide
CID 103021873
N-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]-5-methyloxolane-3-carboxamide
CID 114826581
2-chloro-N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide
CID 106688725
2-chloro-N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide
CID 106688742
2-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)furan-3-carboxamide
CID 106688632
2,5-dibromo-N-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]thiophene-3-carboxamide
CID 107963897
N-[(3-chlorophenyl)methyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 62532102
2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 106686763

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]furan-3-carboxamide (CID 106688717) is 2-chloro-N-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]furan-3-carboxamide is O=C(NCc1cccc(C#CCCO)c1)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]furan-3-carboxamide?
The InChIKey is JGMFVRFENXFXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c17-15-14(7-9-21-15)16(20)18-11-13-6-3-5-12(10-13)4-1-2-8-19/h3,5-7,9-10,19H,2,8,11H2,(H,18,20).
What are the key properties of 2-chloro-N-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]furan-3-carboxamide?
2-chloro-N-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]furan-3-carboxamide has a molecular weight of 303.75 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]furan-3-carboxamide is sourced from PubChem (CID 106688717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).