N-(4-fluorophenyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide

C15H22FN3O2 — CID 106617853

IUPACN-(4-fluorophenyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide
SMILESO=C(CN(CCO)CC1CCCN1)Nc1ccc(F)cc1
InChIInChI=1S/C15H22FN3O2/c16-12-3-5-13(6-4-12)18-15(21)11-19(8-9-20)10-14-2-1-7-17-14/h3-6,14,17,20H,1-2,7-11H2,(H,18,21)
InChIKeyPEIVUAXZYVRVSW-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.81
Rot. Bonds7

About N-(4-fluorophenyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide

N-(4-fluorophenyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide (PubChem CID 106617853) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide
PubChem CID106617853
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC NameN-(4-fluorophenyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide
SMILESO=C(CN(CCO)CC1CCCN1)Nc1ccc(F)cc1
InChIInChI=1S/C15H22FN3O2/c16-12-3-5-13(6-4-12)18-15(21)11-19(8-9-20)10-14-2-1-7-17-14/h3-6,14,17,20H,1-2,7-11H2,(H,18,21)
InChIKeyPEIVUAXZYVRVSW-UHFFFAOYSA-N
XLogP0.81
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615599
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide
CID 106617904
N-(4-chlorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106616029
N-(4-fluorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614350
N-(4-bromophenyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615116
N-(4-fluorophenyl)-2-[methyl(2-piperidin-2-ylethyl)amino]acetamide
CID 66273842
N-(4-bromophenyl)-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 103519927
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106618071
3-[[2-(4-fluoroanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid
CID 82326609
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106617908
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 106618204
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N'-pyridin-2-ylacetohydrazide
CID 106618022

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide (CID 106617853) is N-(4-fluorophenyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide is O=C(CN(CCO)CC1CCCN1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The InChIKey is PEIVUAXZYVRVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c16-12-3-5-13(6-4-12)18-15(21)11-19(8-9-20)10-14-2-1-7-17-14/h3-6,14,17,20H,1-2,7-11H2,(H,18,21).
What are the key properties of N-(4-fluorophenyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide?
N-(4-fluorophenyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide has a molecular weight of 295.36 g/mol, XLogP of 0.81, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 106617853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).