(2S,4S)-N-(3-ethylphenyl)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide

C18H24FN3O3 — CID 110876045

IUPAC(2S,4S)-N-(3-ethylphenyl)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide
SMILESCCc1cccc(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)N2CCOCC2)c1
InChIInChI=1S/C18H24FN3O3/c1-2-13-4-3-5-15(10-13)20-18(24)22-12-14(19)11-16(22)17(23)21-6-8-25-9-7-21/h3-5,10,14,16H,2,6-9,11-12H2,1H3,(H,20,24)/t14-,16-/m0/s1
InChIKeySBFJFGQKPLBALR-HOCLYGCPSA-N
MW349.41 g/mol
LogP2.05
Rot. Bonds3

About (2S,4S)-N-(3-ethylphenyl)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide

(2S,4S)-N-(3-ethylphenyl)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide (PubChem CID 110876045) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is (2S,4S)-N-(3-ethylphenyl)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(3-ethylphenyl)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide
PubChem CID110876045
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name(2S,4S)-N-(3-ethylphenyl)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide
SMILESCCc1cccc(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)N2CCOCC2)c1
InChIInChI=1S/C18H24FN3O3/c1-2-13-4-3-5-15(10-13)20-18(24)22-12-14(19)11-16(22)17(23)21-6-8-25-9-7-21/h3-5,10,14,16H,2,6-9,11-12H2,1H3,(H,20,24)/t14-,16-/m0/s1
InChIKeySBFJFGQKPLBALR-HOCLYGCPSA-N
XLogP2.05
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3-ethylphenyl)-4-fluoropyrrolidine-1-carboxamide
CID 110876130
(2S,4S)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-fluoro-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 110876140
2-[[amino(morpholin-4-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 111093861
[(2R,4R)-1-(2-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110876197
N-[3-(methoxymethyl)phenyl]morpholine-4-carboxamide
CID 34684605
N-(3-ethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032364
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
1-N-(3-ethylphenyl)pyrrolidine-1,3,4-tricarboxamide
CID 126815827
N-(3-ethylphenyl)thiomorpholine-4-carboxamide
CID 3537953
N-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113
1-(cyclopropanecarbonyl)-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 26880034
(9aS)-N-(3-ethylphenyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 98743883

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(3-ethylphenyl)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S,4S)-N-(3-ethylphenyl)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide (CID 110876045) is (2S,4S)-N-(3-ethylphenyl)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S,4S)-N-(3-ethylphenyl)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S,4S)-N-(3-ethylphenyl)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide is CCc1cccc(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)N2CCOCC2)c1.
What is the InChIKey of (2S,4S)-N-(3-ethylphenyl)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide?
The InChIKey is SBFJFGQKPLBALR-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H24FN3O3/c1-2-13-4-3-5-15(10-13)20-18(24)22-12-14(19)11-16(22)17(23)21-6-8-25-9-7-21/h3-5,10,14,16H,2,6-9,11-12H2,1H3,(H,20,24)/t14-,16-/m0/s1.
What are the key properties of (2S,4S)-N-(3-ethylphenyl)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide?
(2S,4S)-N-(3-ethylphenyl)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(3-ethylphenyl)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 110876045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).