8-ethoxy-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2H-chromene-3-carboxamide

C23H22FN3O3 — CID 55759495

IUPAC8-ethoxy-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2H-chromene-3-carboxamide
SMILESCCOc1cccc2c1OCC(C(=O)NC(c1cccc(F)c1)c1nccn1C)=C2
InChIInChI=1S/C23H22FN3O3/c1-3-29-19-9-5-7-16-12-17(14-30-21(16)19)23(28)26-20(22-25-10-11-27(22)2)15-6-4-8-18(24)13-15/h4-13,20H,3,14H2,1-2H3,(H,26,28)
InChIKeyJNPLYZMTCPCUHB-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.64
Rot. Bonds6

About 8-ethoxy-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2H-chromene-3-carboxamide

8-ethoxy-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2H-chromene-3-carboxamide (PubChem CID 55759495) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is 8-ethoxy-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name8-ethoxy-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2H-chromene-3-carboxamide
PubChem CID55759495
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC Name8-ethoxy-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2H-chromene-3-carboxamide
SMILESCCOc1cccc2c1OCC(C(=O)NC(c1cccc(F)c1)c1nccn1C)=C2
InChIInChI=1S/C23H22FN3O3/c1-3-29-19-9-5-7-16-12-17(14-30-21(16)19)23(28)26-20(22-25-10-11-27(22)2)15-6-4-8-18(24)13-15/h4-13,20H,3,14H2,1-2H3,(H,26,28)
InChIKeyJNPLYZMTCPCUHB-UHFFFAOYSA-N
XLogP3.64
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 31359845
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 31503143
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 25341523
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 46698449
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methylpyrazine-2-carboxamide
CID 25356221
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 27900176
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014672
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 25341762
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 47014678
1-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-hydroxycyclohexyl)urea
CID 94149785
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylfuran-3-carboxamide
CID 25368073
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 24597988

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2H-chromene-3-carboxamide?
The IUPAC name of 8-ethoxy-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2H-chromene-3-carboxamide (CID 55759495) is 8-ethoxy-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for 8-ethoxy-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2H-chromene-3-carboxamide?
The canonical SMILES for 8-ethoxy-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2H-chromene-3-carboxamide is CCOc1cccc2c1OCC(C(=O)NC(c1cccc(F)c1)c1nccn1C)=C2.
What is the InChIKey of 8-ethoxy-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2H-chromene-3-carboxamide?
The InChIKey is JNPLYZMTCPCUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c1-3-29-19-9-5-7-16-12-17(14-30-21(16)19)23(28)26-20(22-25-10-11-27(22)2)15-6-4-8-18(24)13-15/h4-13,20H,3,14H2,1-2H3,(H,26,28).
What are the key properties of 8-ethoxy-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2H-chromene-3-carboxamide?
8-ethoxy-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2H-chromene-3-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 55759495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).