N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-4-methoxy-N-methylbenzamide

C14H15F2N3O3 — CID 38341610

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2nccn2C(F)F)c(O)c1
InChIInChI=1S/C14H15F2N3O3/c1-18(8-12-17-5-6-19(12)14(15)16)13(21)10-4-3-9(22-2)7-11(10)20/h3-7,14,20H,8H2,1-2H3
InChIKeyVSHXTBVXSOLTNU-UHFFFAOYSA-N
MW311.29 g/mol
LogP2.26
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-4-methoxy-N-methylbenzamide

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-4-methoxy-N-methylbenzamide (PubChem CID 38341610) has the molecular formula C14H15F2N3O3 and a molecular weight of 311.29 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
PubChem CID38341610
Molecular FormulaC14H15F2N3O3
Molecular Weight311.29 g/mol
Exact Mass311.11
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2nccn2C(F)F)c(O)c1
InChIInChI=1S/C14H15F2N3O3/c1-18(8-12-17-5-6-19(12)14(15)16)13(21)10-4-3-9(22-2)7-11(10)20/h3-7,14,20H,8H2,1-2H3
InChIKeyVSHXTBVXSOLTNU-UHFFFAOYSA-N
XLogP2.26
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,4-dimethoxy-N-methylbenzamide
CID 38342197
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-N,5-dimethylbenzamide
CID 38341813
2-hydroxy-5-methoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60717793
2-hydroxy-4-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43565722
1-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methoxy-N,2-dimethylindole-3-carboxamide
CID 112815461
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylnaphthalene-2-carboxamide
CID 38342160
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]-1-methylurea
CID 38216175
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 38302528
3-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 38343857
2-hydroxy-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60717766
2-[(2-hydroxy-4-methoxybenzoyl)-methylamino]acetic acid
CID 24711323
2-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 30604031

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-4-methoxy-N-methylbenzamide?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-4-methoxy-N-methylbenzamide (CID 38341610) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)Cc2nccn2C(F)F)c(O)c1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-4-methoxy-N-methylbenzamide?
The InChIKey is VSHXTBVXSOLTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O3/c1-18(8-12-17-5-6-19(12)14(15)16)13(21)10-4-3-9(22-2)7-11(10)20/h3-7,14,20H,8H2,1-2H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-4-methoxy-N-methylbenzamide?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-4-methoxy-N-methylbenzamide has a molecular weight of 311.29 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 38341610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).