N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide

C22H18FN3O2 — CID 60584922

IUPACN-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
SMILESCc1nccn1-c1ccc(CNC(=O)c2cc3ccccc3cc2O)cc1F
InChIInChI=1S/C22H18FN3O2/c1-14-24-8-9-26(14)20-7-6-15(10-19(20)23)13-25-22(28)18-11-16-4-2-3-5-17(16)12-21(18)27/h2-12,27H,13H2,1H3,(H,25,28)
InChIKeyFDDHUMWMNHMTQQ-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.11
Rot. Bonds4

About N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide

N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 60584922) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
PubChem CID60584922
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC NameN-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
SMILESCc1nccn1-c1ccc(CNC(=O)c2cc3ccccc3cc2O)cc1F
InChIInChI=1S/C22H18FN3O2/c1-14-24-8-9-26(14)20-7-6-15(10-19(20)23)13-25-22(28)18-11-16-4-2-3-5-17(16)12-21(18)27/h2-12,27H,13H2,1H3,(H,25,28)
InChIKeyFDDHUMWMNHMTQQ-UHFFFAOYSA-N
XLogP4.11
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5,6-tetrachloro-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-2-carboxamide
CID 71885785
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2,3,4-trimethoxybenzamide
CID 47738339
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide
CID 56512613
1-amino-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119863331
1-cyclohexyl-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methylpyrazole-4-carboxamide
CID 139001128
1-amino-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119863330
3-amino-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-methylbutanamide
CID 120503327
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CID 111338279
4-fluoro-N-[2-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 47933313
1-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111183053
1-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 47768392
(3S)-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 52506735

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide (CID 60584922) is N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide is Cc1nccn1-c1ccc(CNC(=O)c2cc3ccccc3cc2O)cc1F.
What is the InChIKey of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is FDDHUMWMNHMTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c1-14-24-8-9-26(14)20-7-6-15(10-19(20)23)13-25-22(28)18-11-16-4-2-3-5-17(16)12-21(18)27/h2-12,27H,13H2,1H3,(H,25,28).
What are the key properties of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide?
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 60584922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).