N'-(4-chloro-2-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]oxamide

C15H14ClFN2O4 — CID 111490885

IUPACN'-(4-chloro-2-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]oxamide
SMILESCC(O)(CNC(=O)C(=O)Nc1ccc(Cl)cc1F)c1ccco1
InChIInChI=1S/C15H14ClFN2O4/c1-15(22,12-3-2-6-23-12)8-18-13(20)14(21)19-11-5-4-9(16)7-10(11)17/h2-7,22H,8H2,1H3,(H,18,20)(H,19,21)
InChIKeySHPSHFPWCKBNRD-UHFFFAOYSA-N
MW340.74 g/mol
LogP2.03
Rot. Bonds4

About N'-(4-chloro-2-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]oxamide

N'-(4-chloro-2-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]oxamide (PubChem CID 111490885) has the molecular formula C15H14ClFN2O4 and a molecular weight of 340.74 g/mol. Its IUPAC name is N'-(4-chloro-2-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]oxamide.

Molecular Properties

Compound NameN'-(4-chloro-2-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]oxamide
PubChem CID111490885
Molecular FormulaC15H14ClFN2O4
Molecular Weight340.74 g/mol
Exact Mass340.06
IUPAC NameN'-(4-chloro-2-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]oxamide
SMILESCC(O)(CNC(=O)C(=O)Nc1ccc(Cl)cc1F)c1ccco1
InChIInChI=1S/C15H14ClFN2O4/c1-15(22,12-3-2-6-23-12)8-18-13(20)14(21)19-11-5-4-9(16)7-10(11)17/h2-7,22H,8H2,1H3,(H,18,20)(H,19,21)
InChIKeySHPSHFPWCKBNRD-UHFFFAOYSA-N
XLogP2.03
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.74
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]oxamide
CID 95983710
N'-(2,3-difluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]oxamide
CID 111490867
N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-phenyloxamide
CID 71782588
1-(4-chloro-2-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472987
2-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpropanamide
CID 111520232
2-(3-chloro-4-fluorophenoxy)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 111482635
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(2-fluorophenyl)oxamide
CID 121085578
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71782549
2,6-dichloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71975267
1-(2-chloro-4-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111474361
1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 121086010

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]oxamide?
The IUPAC name of N'-(4-chloro-2-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]oxamide (CID 111490885) is N'-(4-chloro-2-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]oxamide.
What is the SMILES notation for N'-(4-chloro-2-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]oxamide?
The canonical SMILES for N'-(4-chloro-2-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]oxamide is CC(O)(CNC(=O)C(=O)Nc1ccc(Cl)cc1F)c1ccco1.
What is the InChIKey of N'-(4-chloro-2-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]oxamide?
The InChIKey is SHPSHFPWCKBNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O4/c1-15(22,12-3-2-6-23-12)8-18-13(20)14(21)19-11-5-4-9(16)7-10(11)17/h2-7,22H,8H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(4-chloro-2-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]oxamide?
N'-(4-chloro-2-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]oxamide has a molecular weight of 340.74 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]oxamide is sourced from PubChem (CID 111490885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).