N-[(1S)-1-(4-fluorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide

C20H20FN3O2 — CID 70687593

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
SMILESCOc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C20H20FN3O2/c1-13-11-24(12-22-13)18-9-6-16(10-19(18)26-3)20(25)23-14(2)15-4-7-17(21)8-5-15/h4-12,14H,1-3H3,(H,23,25)/t14-/m0/s1
InChIKeyLAXSARIODJAIOF-AWEZNQCLSA-N
MW353.40 g/mol
LogP3.82
Rot. Bonds5

About N-[(1S)-1-(4-fluorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide

N-[(1S)-1-(4-fluorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide (PubChem CID 70687593) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
PubChem CID70687593
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
SMILESCOc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C20H20FN3O2/c1-13-11-24(12-22-13)18-9-6-16(10-19(18)26-3)20(25)23-14(2)15-4-7-17(21)8-5-15/h4-12,14H,1-3H3,(H,23,25)/t14-/m0/s1
InChIKeyLAXSARIODJAIOF-AWEZNQCLSA-N
XLogP3.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide (CID 70687593) is N-[(1S)-1-(4-fluorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide is COc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The InChIKey is LAXSARIODJAIOF-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-13-11-24(12-22-13)18-9-6-16(10-19(18)26-3)20(25)23-14(2)15-4-7-17(21)8-5-15/h4-12,14H,1-3H3,(H,23,25)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide has a molecular weight of 353.40 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide is sourced from PubChem (CID 70687593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).