4-(difluoromethoxy)-N,N-bis(2-hydroxyethyl)benzamide

C12H15F2NO4 — CID 60653738

IUPAC4-(difluoromethoxy)-N,N-bis(2-hydroxyethyl)benzamide
SMILESO=C(c1ccc(OC(F)F)cc1)N(CCO)CCO
InChIInChI=1S/C12H15F2NO4/c13-12(14)19-10-3-1-9(2-4-10)11(18)15(5-7-16)6-8-17/h1-4,12,16-17H,5-8H2
InChIKeyKWENRPNDYHOVHC-UHFFFAOYSA-N
MW275.25 g/mol
LogP0.71
Rot. Bonds7

About 4-(difluoromethoxy)-N,N-bis(2-hydroxyethyl)benzamide

4-(difluoromethoxy)-N,N-bis(2-hydroxyethyl)benzamide (PubChem CID 60653738) has the molecular formula C12H15F2NO4 and a molecular weight of 275.25 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N,N-bis(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N,N-bis(2-hydroxyethyl)benzamide
PubChem CID60653738
Molecular FormulaC12H15F2NO4
Molecular Weight275.25 g/mol
Exact Mass275.10
IUPAC Name4-(difluoromethoxy)-N,N-bis(2-hydroxyethyl)benzamide
SMILESO=C(c1ccc(OC(F)F)cc1)N(CCO)CCO
InChIInChI=1S/C12H15F2NO4/c13-12(14)19-10-3-1-9(2-4-10)11(18)15(5-7-16)6-8-17/h1-4,12,16-17H,5-8H2
InChIKeyKWENRPNDYHOVHC-UHFFFAOYSA-N
XLogP0.71
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-N,N-bis(2-hydroxyethyl)acetamide
CID 60682190
2-[(2-amino-2-oxoethyl)-[4-(difluoromethoxy)benzoyl]amino]acetic acid
CID 107434577
2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 60682400
4-(difluoromethoxy)-N-(3-hydroxybutyl)-N-methylbenzamide
CID 115673441
N-ethyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 39245676
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol
CID 110901993
4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide
CID 14959961
methyl 3-[[4-(difluoromethoxy)benzoyl]-methylamino]propanoate
CID 61032347
3-[2-hydroxyethyl-(4-methoxybenzoyl)amino]propanoic acid
CID 82324969
N-(5-aminopentyl)-4-(difluoromethoxy)-N-methylbenzamide
CID 107206523
N,N-bis(2-hydroxyethyl)-4-(sulfanylmethyl)benzamide
CID 143150014
N-(3-aminopropyl)-N-cyclopropyl-4-(difluoromethoxy)benzamide
CID 43136734

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N,N-bis(2-hydroxyethyl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-N,N-bis(2-hydroxyethyl)benzamide (CID 60653738) is 4-(difluoromethoxy)-N,N-bis(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N,N-bis(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N,N-bis(2-hydroxyethyl)benzamide is O=C(c1ccc(OC(F)F)cc1)N(CCO)CCO.
What is the InChIKey of 4-(difluoromethoxy)-N,N-bis(2-hydroxyethyl)benzamide?
The InChIKey is KWENRPNDYHOVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO4/c13-12(14)19-10-3-1-9(2-4-10)11(18)15(5-7-16)6-8-17/h1-4,12,16-17H,5-8H2.
What are the key properties of 4-(difluoromethoxy)-N,N-bis(2-hydroxyethyl)benzamide?
4-(difluoromethoxy)-N,N-bis(2-hydroxyethyl)benzamide has a molecular weight of 275.25 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N,N-bis(2-hydroxyethyl)benzamide is sourced from PubChem (CID 60653738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).