3-(difluoromethoxy)-N-[4-(imidazol-1-ylmethyl)phenyl]naphthalene-2-carboxamide

C22H17F2N3O2 — CID 99636374

IUPAC3-(difluoromethoxy)-N-[4-(imidazol-1-ylmethyl)phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(Cn2ccnc2)cc1)c1cc2ccccc2cc1OC(F)F
InChIInChI=1S/C22H17F2N3O2/c23-22(24)29-20-12-17-4-2-1-3-16(17)11-19(20)21(28)26-18-7-5-15(6-8-18)13-27-10-9-25-14-27/h1-12,14,22H,13H2,(H,26,28)
InChIKeyBJHPRGVJGNVJFC-UHFFFAOYSA-N
MW393.39 g/mol
LogP4.94
Rot. Bonds6

About 3-(difluoromethoxy)-N-[4-(imidazol-1-ylmethyl)phenyl]naphthalene-2-carboxamide

3-(difluoromethoxy)-N-[4-(imidazol-1-ylmethyl)phenyl]naphthalene-2-carboxamide (PubChem CID 99636374) has the molecular formula C22H17F2N3O2 and a molecular weight of 393.39 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[4-(imidazol-1-ylmethyl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[4-(imidazol-1-ylmethyl)phenyl]naphthalene-2-carboxamide
PubChem CID99636374
Molecular FormulaC22H17F2N3O2
Molecular Weight393.39 g/mol
Exact Mass393.13
IUPAC Name3-(difluoromethoxy)-N-[4-(imidazol-1-ylmethyl)phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(Cn2ccnc2)cc1)c1cc2ccccc2cc1OC(F)F
InChIInChI=1S/C22H17F2N3O2/c23-22(24)29-20-12-17-4-2-1-3-16(17)11-19(20)21(28)26-18-7-5-15(6-8-18)13-27-10-9-25-14-27/h1-12,14,22H,13H2,(H,26,28)
InChIKeyBJHPRGVJGNVJFC-UHFFFAOYSA-N
XLogP4.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[4-(imidazol-1-ylmethyl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of 3-(difluoromethoxy)-N-[4-(imidazol-1-ylmethyl)phenyl]naphthalene-2-carboxamide (CID 99636374) is 3-(difluoromethoxy)-N-[4-(imidazol-1-ylmethyl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[4-(imidazol-1-ylmethyl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[4-(imidazol-1-ylmethyl)phenyl]naphthalene-2-carboxamide is O=C(Nc1ccc(Cn2ccnc2)cc1)c1cc2ccccc2cc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-N-[4-(imidazol-1-ylmethyl)phenyl]naphthalene-2-carboxamide?
The InChIKey is BJHPRGVJGNVJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O2/c23-22(24)29-20-12-17-4-2-1-3-16(17)11-19(20)21(28)26-18-7-5-15(6-8-18)13-27-10-9-25-14-27/h1-12,14,22H,13H2,(H,26,28).
What are the key properties of 3-(difluoromethoxy)-N-[4-(imidazol-1-ylmethyl)phenyl]naphthalene-2-carboxamide?
3-(difluoromethoxy)-N-[4-(imidazol-1-ylmethyl)phenyl]naphthalene-2-carboxamide has a molecular weight of 393.39 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[4-(imidazol-1-ylmethyl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 99636374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).