5-(4-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]pentanamide

C17H20BrNO3 — CID 87016967

IUPAC5-(4-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]pentanamide
SMILESO=C(CCCCc1ccc(Br)cc1)NCC(O)c1ccco1
InChIInChI=1S/C17H20BrNO3/c18-14-9-7-13(8-10-14)4-1-2-6-17(21)19-12-15(20)16-5-3-11-22-16/h3,5,7-11,15,20H,1-2,4,6,12H2,(H,19,21)
InChIKeyBBOJDTDICSPVQG-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.60
Rot. Bonds8

About 5-(4-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]pentanamide

5-(4-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]pentanamide (PubChem CID 87016967) has the molecular formula C17H20BrNO3 and a molecular weight of 366.25 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]pentanamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]pentanamide
PubChem CID87016967
Molecular FormulaC17H20BrNO3
Molecular Weight366.25 g/mol
Exact Mass365.06
IUPAC Name5-(4-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]pentanamide
SMILESO=C(CCCCc1ccc(Br)cc1)NCC(O)c1ccco1
InChIInChI=1S/C17H20BrNO3/c18-14-9-7-13(8-10-14)4-1-2-6-17(21)19-12-15(20)16-5-3-11-22-16/h3,5,7-11,15,20H,1-2,4,6,12H2,(H,19,21)
InChIKeyBBOJDTDICSPVQG-UHFFFAOYSA-N
XLogP3.60
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110889052
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]pentanediamide
CID 111102313
3-(2-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110899131
N-[3-(furan-2-yl)-3-hydroxypropyl]-4-phenylbutanamide
CID 90523706
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methoxybutanamide
CID 110899101
5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide
CID 55752390
1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890281
4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-4-oxobutanamide
CID 110889375
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 78866038
3-cyclopentyl-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110889267
3-bromo-N-[4-[2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2-oxoethyl]phenyl]benzamide
CID 78897431
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-naphthalen-1-yloxybutanamide
CID 110891752

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]pentanamide?
The IUPAC name of 5-(4-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]pentanamide (CID 87016967) is 5-(4-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]pentanamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]pentanamide?
The canonical SMILES for 5-(4-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]pentanamide is O=C(CCCCc1ccc(Br)cc1)NCC(O)c1ccco1.
What is the InChIKey of 5-(4-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]pentanamide?
The InChIKey is BBOJDTDICSPVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO3/c18-14-9-7-13(8-10-14)4-1-2-6-17(21)19-12-15(20)16-5-3-11-22-16/h3,5,7-11,15,20H,1-2,4,6,12H2,(H,19,21).
What are the key properties of 5-(4-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]pentanamide?
5-(4-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]pentanamide has a molecular weight of 366.25 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]pentanamide is sourced from PubChem (CID 87016967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).