(2S,3R)-N-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide

C17H18ClFN4O3 — CID 138031496

IUPAC(2S,3R)-N-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide
SMILESCN1C(=O)CO[C@H](C(=O)NCc2ccc(Cl)cc2F)[C@H]1c1cnn(C)c1
InChIInChI=1S/C17H18ClFN4O3/c1-22-8-11(7-21-22)15-16(26-9-14(24)23(15)2)17(25)20-6-10-3-4-12(18)5-13(10)19/h3-5,7-8,15-16H,6,9H2,1-2H3,(H,20,25)/t15-,16+/m1/s1
InChIKeyFRSUDLLGQDWANR-CVEARBPZSA-N
MW380.81 g/mol
LogP1.43
Rot. Bonds4

About (2S,3R)-N-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide

(2S,3R)-N-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide (PubChem CID 138031496) has the molecular formula C17H18ClFN4O3 and a molecular weight of 380.81 g/mol. Its IUPAC name is (2S,3R)-N-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide
PubChem CID138031496
Molecular FormulaC17H18ClFN4O3
Molecular Weight380.81 g/mol
Exact Mass380.11
IUPAC Name(2S,3R)-N-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide
SMILESCN1C(=O)CO[C@H](C(=O)NCc2ccc(Cl)cc2F)[C@H]1c1cnn(C)c1
InChIInChI=1S/C17H18ClFN4O3/c1-22-8-11(7-21-22)15-16(26-9-14(24)23(15)2)17(25)20-6-10-3-4-12(18)5-13(10)19/h3-5,7-8,15-16H,6,9H2,1-2H3,(H,20,25)/t15-,16+/m1/s1
InChIKeyFRSUDLLGQDWANR-CVEARBPZSA-N
XLogP1.43
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,3R)-N-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorobenzyl)-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24817759
1-[2-(4-chlorophenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 24819189
1-[(4-chlorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24819574
2-[1-(4-chloro-3-fluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 45245128
N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-methylmorpholine-2-carboxamide
CID 75389972
(6R)-4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-6-methylmorpholine-2-carboxamide
CID 75471074
(5R,6S)-4-ethyl-6-[3-(4-fluorophenyl)azetidine-1-carbonyl]-5-(1-methylpyrazol-4-yl)morpholin-3-one
CID 126838597
(S)-N-((R or S)-(3-chloro-4-fluorophenyl)(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)methyl)-2-oxooxazolidine-5-carboxamide
CID 178289869
N-[(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]-3-formamido-2-methoxypropanamide
CID 162520587
N-[3-[[(Z)-2-(4-chloro-3-fluorophenyl)-2-(methylideneamino)ethenyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[3-(4-fluoropyrazol-1-yl)cyclobutyl]oxyacetamide
CID 166508307
2-[(2S)-1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 26390829
2-[(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 26390831

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide (CID 138031496) is (2S,3R)-N-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide is CN1C(=O)CO[C@H](C(=O)NCc2ccc(Cl)cc2F)[C@H]1c1cnn(C)c1.
What is the InChIKey of (2S,3R)-N-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide?
The InChIKey is FRSUDLLGQDWANR-CVEARBPZSA-N. The full InChI is InChI=1S/C17H18ClFN4O3/c1-22-8-11(7-21-22)15-16(26-9-14(24)23(15)2)17(25)20-6-10-3-4-12(18)5-13(10)19/h3-5,7-8,15-16H,6,9H2,1-2H3,(H,20,25)/t15-,16+/m1/s1.
What are the key properties of (2S,3R)-N-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide?
(2S,3R)-N-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide has a molecular weight of 380.81 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 138031496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).