(2R)-2-ethyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide

C18H23FN4O2 — CID 97097725

IUPAC(2R)-2-ethyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
SMILESCC[C@@H]1CN(C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)CCO1
InChIInChI=1S/C18H23FN4O2/c1-3-15-12-23(9-10-25-15)18(24)21-16(17-20-7-8-22(17)2)13-5-4-6-14(19)11-13/h4-8,11,15-16H,3,9-10,12H2,1-2H3,(H,21,24)/t15-,16+/m1/s1
InChIKeyIJSUDNOULRFPLX-CVEARBPZSA-N
MW346.41 g/mol
LogP2.47
Rot. Bonds4

About (2R)-2-ethyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide

(2R)-2-ethyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide (PubChem CID 97097725) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is (2R)-2-ethyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-ethyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
PubChem CID97097725
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name(2R)-2-ethyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
SMILESCC[C@@H]1CN(C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)CCO1
InChIInChI=1S/C18H23FN4O2/c1-3-15-12-23(9-10-25-15)18(24)21-16(17-20-7-8-22(17)2)13-5-4-6-14(19)11-13/h4-8,11,15-16H,3,9-10,12H2,1-2H3,(H,21,24)/t15-,16+/m1/s1
InChIKeyIJSUDNOULRFPLX-CVEARBPZSA-N
XLogP2.47
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-ethyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-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

N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 95134781
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 25341762
4-(cyclohexylmethyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carboxamide
CID 55913040
1-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-hydroxycyclohexyl)urea
CID 94149785
2-(3-fluorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25351909
(2R)-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 31503253
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014672
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]adamantane-1-carboxamide
CID 55453673
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 31359845
3-(3-chloro-4-methylphenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 24625692
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-oxobutanamide
CID 31360214
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide
CID 94755834

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of (2R)-2-ethyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide (CID 97097725) is (2R)-2-ethyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-ethyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-ethyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide is CC[C@@H]1CN(C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)CCO1.
What is the InChIKey of (2R)-2-ethyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide?
The InChIKey is IJSUDNOULRFPLX-CVEARBPZSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-3-15-12-23(9-10-25-15)18(24)21-16(17-20-7-8-22(17)2)13-5-4-6-14(19)11-13/h4-8,11,15-16H,3,9-10,12H2,1-2H3,(H,21,24)/t15-,16+/m1/s1.
What are the key properties of (2R)-2-ethyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide?
(2R)-2-ethyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 97097725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).