2-fluoro-4-methoxy-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzamide

C18H22FN3O3 — CID 129351793

IUPAC2-fluoro-4-methoxy-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](c2nccn2C)C2CCOCC2)c(F)c1
InChIInChI=1S/C18H22FN3O3/c1-22-8-7-20-17(22)16(12-5-9-25-10-6-12)21-18(23)14-4-3-13(24-2)11-15(14)19/h3-4,7-8,11-12,16H,5-6,9-10H2,1-2H3,(H,21,23)/t16-/m0/s1
InChIKeyFXRAXACSSLREMH-INIZCTEOSA-N
MW347.39 g/mol
LogP2.47
Rot. Bonds5

About 2-fluoro-4-methoxy-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzamide

2-fluoro-4-methoxy-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzamide (PubChem CID 129351793) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzamide
PubChem CID129351793
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name2-fluoro-4-methoxy-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](c2nccn2C)C2CCOCC2)c(F)c1
InChIInChI=1S/C18H22FN3O3/c1-22-8-7-20-17(22)16(12-5-9-25-10-6-12)21-18(23)14-4-3-13(24-2)11-15(14)19/h3-4,7-8,11-12,16H,5-6,9-10H2,1-2H3,(H,21,23)/t16-/m0/s1
InChIKeyFXRAXACSSLREMH-INIZCTEOSA-N
XLogP2.47
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridazine-3-carboxamide
CID 129487026
N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide
CID 129487211
2-(4-fluorophenoxy)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide
CID 128988115
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 97146603
2-methyl-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]propanamide
CID 129487092
4-ethyl-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-2-carboxamide
CID 129487085
N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine
CID 128976525
5-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazine-2-carboxamide
CID 128988052
6-methyl-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-2-carboxamide
CID 129487208
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-fluoropyridine-4-carboxamide
CID 128988103
N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]quinoxaline-2-carboxamide
CID 129487226
4-chloro-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 129487218

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-4-methoxy-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzamide (CID 129351793) is 2-fluoro-4-methoxy-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-4-methoxy-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-4-methoxy-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzamide is COc1ccc(C(=O)N[C@H](c2nccn2C)C2CCOCC2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methoxy-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzamide?
The InChIKey is FXRAXACSSLREMH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-22-8-7-20-17(22)16(12-5-9-25-10-6-12)21-18(23)14-4-3-13(24-2)11-15(14)19/h3-4,7-8,11-12,16H,5-6,9-10H2,1-2H3,(H,21,23)/t16-/m0/s1.
What are the key properties of 2-fluoro-4-methoxy-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzamide?
2-fluoro-4-methoxy-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzamide has a molecular weight of 347.39 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzamide is sourced from PubChem (CID 129351793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).