2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide

C19H23FN2O3 — CID 111432073

IUPAC2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CN(CC(O)c1ccc(F)cc1)C1CC1)c1ccco1
InChIInChI=1S/C19H23FN2O3/c1-13(18-3-2-10-25-18)21-19(24)12-22(16-8-9-16)11-17(23)14-4-6-15(20)7-5-14/h2-7,10,13,16-17,23H,8-9,11-12H2,1H3,(H,21,24)
InChIKeyJYFYRMNFUYXKAZ-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.79
Rot. Bonds8

About 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide

2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide (PubChem CID 111432073) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide
PubChem CID111432073
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CN(CC(O)c1ccc(F)cc1)C1CC1)c1ccco1
InChIInChI=1S/C19H23FN2O3/c1-13(18-3-2-10-25-18)21-19(24)12-22(16-8-9-16)11-17(23)14-4-6-15(20)7-5-14/h2-7,10,13,16-17,23H,8-9,11-12H2,1H3,(H,21,24)
InChIKeyJYFYRMNFUYXKAZ-UHFFFAOYSA-N
XLogP2.79
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclohexyl-[(2S)-2-hydroxypropyl]amino]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 98761112
2-[cyclopropyl(3-hydroxypropyl)amino]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 95346543
N-cyclopentyl-2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]acetamide
CID 111432084
N-[1-(furan-2-yl)ethyl]-2-[methyl-[4-(methylamino)cyclohexyl]amino]acetamide
CID 79118481
2-[azetidin-3-yl(propyl)amino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 66216723
2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 111753851
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 61231079
2-[(4-fluorophenyl)sulfonylamino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 166191856
2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(1,3-thiazol-2-yl)acetamide
CID 111462226
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 71919597
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 18088884
2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 87029637

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide (CID 111432073) is 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide is CC(NC(=O)CN(CC(O)c1ccc(F)cc1)C1CC1)c1ccco1.
What is the InChIKey of 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide?
The InChIKey is JYFYRMNFUYXKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-13(18-3-2-10-25-18)21-19(24)12-22(16-8-9-16)11-17(23)14-4-6-15(20)7-5-14/h2-7,10,13,16-17,23H,8-9,11-12H2,1H3,(H,21,24).
What are the key properties of 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide?
2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide has a molecular weight of 346.40 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 111432073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).