4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide

C11H13F2NO4 — CID 78783270

IUPAC4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCO)ccc1OC(F)F
InChIInChI=1S/C11H13F2NO4/c1-17-9-6-7(10(16)14-4-5-15)2-3-8(9)18-11(12)13/h2-3,6,11,15H,4-5H2,1H3,(H,14,16)
InChIKeyQXGLUCAOJIRPOD-UHFFFAOYSA-N
MW261.22 g/mol
LogP1.02
Rot. Bonds6

About 4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide

4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide (PubChem CID 78783270) has the molecular formula C11H13F2NO4 and a molecular weight of 261.22 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
PubChem CID78783270
Molecular FormulaC11H13F2NO4
Molecular Weight261.22 g/mol
Exact Mass261.08
IUPAC Name4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCO)ccc1OC(F)F
InChIInChI=1S/C11H13F2NO4/c1-17-9-6-7(10(16)14-4-5-15)2-3-8(9)18-11(12)13/h2-3,6,11,15H,4-5H2,1H3,(H,14,16)
InChIKeyQXGLUCAOJIRPOD-UHFFFAOYSA-N
XLogP1.02
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 78768368
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CID 9246064
N-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide
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4-(difluoromethoxy)-3-methoxy-N-prop-2-ynylbenzamide
CID 18109915
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-methoxy-4-methylbenzamide
CID 8528927
[4-(2-hydroxyethylcarbamoyl)-2-methoxyphenoxy]boronic acid
CID 142797913
4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 35515205
N-(2-benzylsulfanylethyl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 8749675
4-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]-3-methoxybenzamide
CID 120654617
5-[[3-(difluoromethoxy)-4-methoxybenzoyl]amino]pentanoic acid
CID 119234202
N-[2-(cyclohexen-1-yl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 18108470
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CID 9261772

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide (CID 78783270) is 4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide is COc1cc(C(=O)NCCO)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide?
The InChIKey is QXGLUCAOJIRPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO4/c1-17-9-6-7(10(16)14-4-5-15)2-3-8(9)18-11(12)13/h2-3,6,11,15H,4-5H2,1H3,(H,14,16).
What are the key properties of 4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide?
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide has a molecular weight of 261.22 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide is sourced from PubChem (CID 78783270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).