N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C17H26FN3O2 — CID 111428297

IUPACN-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCCN(CC)c1ccc(CNC(=O)N2CCCC2CO)cc1F
InChIInChI=1S/C17H26FN3O2/c1-3-20(4-2)16-8-7-13(10-15(16)18)11-19-17(23)21-9-5-6-14(21)12-22/h7-8,10,14,22H,3-6,9,11-12H2,1-2H3,(H,19,23)
InChIKeyIENLQJOAWJBCJV-UHFFFAOYSA-N
MW323.41 g/mol
LogP2.34
Rot. Bonds6

About N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 111428297) has the molecular formula C17H26FN3O2 and a molecular weight of 323.41 g/mol. Its IUPAC name is N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID111428297
Molecular FormulaC17H26FN3O2
Molecular Weight323.41 g/mol
Exact Mass323.20
IUPAC NameN-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCCN(CC)c1ccc(CNC(=O)N2CCCC2CO)cc1F
InChIInChI=1S/C17H26FN3O2/c1-3-20(4-2)16-8-7-13(10-15(16)18)11-19-17(23)21-9-5-6-14(21)12-22/h7-8,10,14,22H,3-6,9,11-12H2,1-2H3,(H,19,23)
InChIKeyIENLQJOAWJBCJV-UHFFFAOYSA-N
XLogP2.34
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 110909640
N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 146138350
(2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 111427679
(2R)-1-[(3,4-difluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922690
3-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 61207658
N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443905
2-(hydroxymethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 111427840
2-[1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 106900464
2-(4-chlorophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]pyrrolidine-1-carboxamide
CID 112834890
N-[3-(2-fluoro-N-methylanilino)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428035
N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(methanesulfonamido)propanamide
CID 56803786
2-[[4-(diethylamino)-3-fluorophenyl]methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111804317

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 111428297) is N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is CCN(CC)c1ccc(CNC(=O)N2CCCC2CO)cc1F.
What is the InChIKey of N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is IENLQJOAWJBCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O2/c1-3-20(4-2)16-8-7-13(10-15(16)18)11-19-17(23)21-9-5-6-14(21)12-22/h7-8,10,14,22H,3-6,9,11-12H2,1-2H3,(H,19,23).
What are the key properties of N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 323.41 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111428297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).