N-(1-ethylpyrrolidin-3-yl)-3-fluoroazetidine-1-carboxamide

C10H18FN3O — CID 154744073

IUPACN-(1-ethylpyrrolidin-3-yl)-3-fluoroazetidine-1-carboxamide
SMILESCCN1CCC(NC(=O)N2CC(F)C2)C1
InChIInChI=1S/C10H18FN3O/c1-2-13-4-3-9(7-13)12-10(15)14-5-8(11)6-14/h8-9H,2-7H2,1H3,(H,12,15)
InChIKeyJUAFUCPQSQZFHD-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.44
Rot. Bonds2

About N-(1-ethylpyrrolidin-3-yl)-3-fluoroazetidine-1-carboxamide

N-(1-ethylpyrrolidin-3-yl)-3-fluoroazetidine-1-carboxamide (PubChem CID 154744073) has the molecular formula C10H18FN3O and a molecular weight of 215.27 g/mol. Its IUPAC name is N-(1-ethylpyrrolidin-3-yl)-3-fluoroazetidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrrolidin-3-yl)-3-fluoroazetidine-1-carboxamide
PubChem CID154744073
Molecular FormulaC10H18FN3O
Molecular Weight215.27 g/mol
Exact Mass215.14
IUPAC NameN-(1-ethylpyrrolidin-3-yl)-3-fluoroazetidine-1-carboxamide
SMILESCCN1CCC(NC(=O)N2CC(F)C2)C1
InChIInChI=1S/C10H18FN3O/c1-2-13-4-3-9(7-13)12-10(15)14-5-8(11)6-14/h8-9H,2-7H2,1H3,(H,12,15)
InChIKeyJUAFUCPQSQZFHD-UHFFFAOYSA-N
XLogP0.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)-N-ethylpyrrolidine-1-carboxamide
CID 68378697
1,3,3-Trimethyl-1-(pyrrolidin-3-yl)urea
CID 79154183
3-(Propan-2-yl)-1-(pyrrolidin-3-yl)urea hydrochloride
CID 170911671
3-(Propan-2-yl)-1-(pyrrolidin-3-yl)urea
CID 43604170
(3S)-3-(diethylamino)-N-(3-methylbutyl)pyrrolidine-1-carboxamide
CID 95907873
4-(2-Fluoroethyl)-1-methylimidazolidin-2-one
CID 67255418
5-(2-Fluoroethyl)-1-methylimidazolidin-2-one
CID 67256724
1-[(3R)-1-[(2S)-3-amino-2-fluoropropyl]pyrrolidin-3-yl]-3-tert-butylurea
CID 89492899
1-[(3R)-1-[(2R)-3-amino-2-fluoropropyl]pyrrolidin-3-yl]-3-tert-butylurea
CID 89492900
1-[(3R)-1-[(2S)-3-amino-2-fluoropropyl]pyrrolidin-3-yl]-3-methylurea
CID 89495105
1-[(3R)-1-[(2R)-3-amino-2-fluoropropyl]pyrrolidin-3-yl]-3-methylurea
CID 89495158
1-tert-butyl-3-[(3R)-1-[(2R)-2-fluorobutyl]pyrrolidin-3-yl]urea
CID 118591728

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrrolidin-3-yl)-3-fluoroazetidine-1-carboxamide?
The IUPAC name of N-(1-ethylpyrrolidin-3-yl)-3-fluoroazetidine-1-carboxamide (CID 154744073) is N-(1-ethylpyrrolidin-3-yl)-3-fluoroazetidine-1-carboxamide.
What is the SMILES notation for N-(1-ethylpyrrolidin-3-yl)-3-fluoroazetidine-1-carboxamide?
The canonical SMILES for N-(1-ethylpyrrolidin-3-yl)-3-fluoroazetidine-1-carboxamide is CCN1CCC(NC(=O)N2CC(F)C2)C1.
What is the InChIKey of N-(1-ethylpyrrolidin-3-yl)-3-fluoroazetidine-1-carboxamide?
The InChIKey is JUAFUCPQSQZFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN3O/c1-2-13-4-3-9(7-13)12-10(15)14-5-8(11)6-14/h8-9H,2-7H2,1H3,(H,12,15).
What are the key properties of N-(1-ethylpyrrolidin-3-yl)-3-fluoroazetidine-1-carboxamide?
N-(1-ethylpyrrolidin-3-yl)-3-fluoroazetidine-1-carboxamide has a molecular weight of 215.27 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrrolidin-3-yl)-3-fluoroazetidine-1-carboxamide is sourced from PubChem (CID 154744073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).