3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide

C15H21F2NO4 — CID 56807264

IUPAC3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide
SMILESCCC(O)(CC)CNC(=O)c1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C15H21F2NO4/c1-4-15(20,5-2)9-18-13(19)10-6-7-11(21-3)12(8-10)22-14(16)17/h6-8,14,20H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyMERCZOGWGDTILX-UHFFFAOYSA-N
MW317.33 g/mol
LogP2.58
Rot. Bonds8

About 3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide

3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide (PubChem CID 56807264) has the molecular formula C15H21F2NO4 and a molecular weight of 317.33 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide
PubChem CID56807264
Molecular FormulaC15H21F2NO4
Molecular Weight317.33 g/mol
Exact Mass317.14
IUPAC Name3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide
SMILESCCC(O)(CC)CNC(=O)c1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C15H21F2NO4/c1-4-15(20,5-2)9-18-13(19)10-6-7-11(21-3)12(8-10)22-14(16)17/h6-8,14,20H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyMERCZOGWGDTILX-UHFFFAOYSA-N
XLogP2.58
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 119383172
3-(difluoromethoxy)-N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxybenzamide
CID 87001161
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
3-[[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]methyl]pentan-3-ol
CID 62058897
5-[[3-(difluoromethoxy)-4-methoxybenzoyl]amino]pentanoic acid
CID 119234202
3-(difluoromethoxy)-4-methoxy-N-[(2-methylphenyl)methyl]benzamide
CID 46492035
4-(difluoromethoxy)-3-methoxy-N-prop-2-ynylbenzamide
CID 18109915
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
2-[2-[[3-(difluoromethoxy)-4-methoxybenzoyl]amino]ethylsulfanyl]acetic acid
CID 119241438
3-(difluoromethoxy)-4-methoxy-N-(3-phenoxypropyl)benzamide
CID 55739120
3-(difluoromethoxy)-4-methoxy-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 55803051

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide?
The IUPAC name of 3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide (CID 56807264) is 3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide is CCC(O)(CC)CNC(=O)c1ccc(OC)c(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide?
The InChIKey is MERCZOGWGDTILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO4/c1-4-15(20,5-2)9-18-13(19)10-6-7-11(21-3)12(8-10)22-14(16)17/h6-8,14,20H,4-5,9H2,1-3H3,(H,18,19).
What are the key properties of 3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide?
3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide has a molecular weight of 317.33 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide is sourced from PubChem (CID 56807264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).