3-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide

C16H22F2N4O2 — CID 75381106

IUPAC3-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)NCCc2cc(F)cc(F)c2)C1
InChIInChI=1S/C16H22F2N4O2/c1-2-19-16(24)22-6-4-14(10-22)21-15(23)20-5-3-11-7-12(17)9-13(18)8-11/h7-9,14H,2-6,10H2,1H3,(H,19,24)(H2,20,21,23)
InChIKeyMEKUTSJZXAGTHH-UHFFFAOYSA-N
MW340.37 g/mol
LogP1.61
Rot. Bonds5

About 3-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide

3-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide (PubChem CID 75381106) has the molecular formula C16H22F2N4O2 and a molecular weight of 340.37 g/mol. Its IUPAC name is 3-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide
PubChem CID75381106
Molecular FormulaC16H22F2N4O2
Molecular Weight340.37 g/mol
Exact Mass340.17
IUPAC Name3-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)NCCc2cc(F)cc(F)c2)C1
InChIInChI=1S/C16H22F2N4O2/c1-2-19-16(24)22-6-4-14(10-22)21-15(23)20-5-3-11-7-12(17)9-13(18)8-11/h7-9,14H,2-6,10H2,1H3,(H,19,24)(H2,20,21,23)
InChIKeyMEKUTSJZXAGTHH-UHFFFAOYSA-N
XLogP1.61
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3-aminopropyl)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 24901492
(4R,5S)-(-)-1,5-Dimethyl-4-phenyl-2-imidazolidinone
CID 6931391
(5R)-1-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-5-methylimidazolidin-4-one
CID 23646442
1-(2-Fluorobenzyl)imidazolidin-2-one
CID 3244179
1-[(4-Fluorophenyl)methyl]imidazolidin-2-one
CID 4168948
N-(((S)-1-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-2-fluoro-2-methylpropanamide
CID 45101722
6-(5-methyl-2-oxoimidazolidin-4-yl)-N-(2-phenylethyl)hexanamide
CID 2974150
(S)-N-phenethyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 44418549
N-(((S)-1-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-N-methylpivalamide
CID 45271813
N-(((S)-1-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-2,2-difluoropropanamide
CID 45272672
N-(((S)-1-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)pivalamide
CID 45273602
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2562831

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide?
The IUPAC name of 3-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide (CID 75381106) is 3-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide is CCNC(=O)N1CCC(NC(=O)NCCc2cc(F)cc(F)c2)C1.
What is the InChIKey of 3-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide?
The InChIKey is MEKUTSJZXAGTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N4O2/c1-2-19-16(24)22-6-4-14(10-22)21-15(23)20-5-3-11-7-12(17)9-13(18)8-11/h7-9,14H,2-6,10H2,1H3,(H,19,24)(H2,20,21,23).
What are the key properties of 3-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide?
3-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide has a molecular weight of 340.37 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 75381106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).