2-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpropanamide

C17H20ClNO3 — CID 111520232

IUPAC2-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpropanamide
SMILESCC(O)(CNC(=O)C(C)(C)c1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C17H20ClNO3/c1-16(2,12-6-8-13(18)9-7-12)15(20)19-11-17(3,21)14-5-4-10-22-14/h4-10,21H,11H2,1-3H3,(H,19,20)
InChIKeyZIFDXOLDOJOWEK-UHFFFAOYSA-N
MW321.80 g/mol
LogP3.23
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpropanamide

2-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpropanamide (PubChem CID 111520232) has the molecular formula C17H20ClNO3 and a molecular weight of 321.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpropanamide
PubChem CID111520232
Molecular FormulaC17H20ClNO3
Molecular Weight321.80 g/mol
Exact Mass321.11
IUPAC Name2-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpropanamide
SMILESCC(O)(CNC(=O)C(C)(C)c1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C17H20ClNO3/c1-16(2,12-6-8-13(18)9-7-12)15(20)19-11-17(3,21)14-5-4-10-22-14/h4-10,21H,11H2,1-3H3,(H,19,20)
InChIKeyZIFDXOLDOJOWEK-UHFFFAOYSA-N
XLogP3.23
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-chlorophenyl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111478745
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
N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-methylpropanamide
CID 119625738
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
2-(4-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpropanamide
CID 111519809
N-[2-(furan-2-yl)-2-hydroxypropyl]cyclopropanecarboxamide
CID 71782530
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
5-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111482154
N'-(4-chloro-2-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]oxamide
CID 111490885
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71782647

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpropanamide (CID 111520232) is 2-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpropanamide is CC(O)(CNC(=O)C(C)(C)c1ccc(Cl)cc1)c1ccco1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpropanamide?
The InChIKey is ZIFDXOLDOJOWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO3/c1-16(2,12-6-8-13(18)9-7-12)15(20)19-11-17(3,21)14-5-4-10-22-14/h4-10,21H,11H2,1-3H3,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpropanamide?
2-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpropanamide has a molecular weight of 321.80 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpropanamide is sourced from PubChem (CID 111520232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).