4-(difluoromethoxy)-N-(3-hydroxybutyl)-N-methylbenzamide

C13H17F2NO3 — CID 115673441

IUPAC4-(difluoromethoxy)-N-(3-hydroxybutyl)-N-methylbenzamide
SMILESCC(O)CCN(C)C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H17F2NO3/c1-9(17)7-8-16(2)12(18)10-3-5-11(6-4-10)19-13(14)15/h3-6,9,13,17H,7-8H2,1-2H3
InChIKeyPQDJDXJSDGMMCB-UHFFFAOYSA-N
MW273.28 g/mol
LogP2.13
Rot. Bonds6

About 4-(difluoromethoxy)-N-(3-hydroxybutyl)-N-methylbenzamide

4-(difluoromethoxy)-N-(3-hydroxybutyl)-N-methylbenzamide (PubChem CID 115673441) has the molecular formula C13H17F2NO3 and a molecular weight of 273.28 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(3-hydroxybutyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(3-hydroxybutyl)-N-methylbenzamide
PubChem CID115673441
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Name4-(difluoromethoxy)-N-(3-hydroxybutyl)-N-methylbenzamide
SMILESCC(O)CCN(C)C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H17F2NO3/c1-9(17)7-8-16(2)12(18)10-3-5-11(6-4-10)19-13(14)15/h3-6,9,13,17H,7-8H2,1-2H3
InChIKeyPQDJDXJSDGMMCB-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[4-(difluoromethoxy)benzoyl]-methylamino]propanoate
CID 61032347
N-(5-aminopentyl)-4-(difluoromethoxy)-N-methylbenzamide
CID 107206523
4-(3,4-difluorophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide
CID 111758314
3-fluoro-N-(3-hydroxybutyl)-N,4-dimethylbenzamide
CID 111695800
4-(difluoromethoxy)-N,N-bis(2-hydroxyethyl)benzamide
CID 60653738
4-(difluoromethoxy)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454317
3-hydroxy-N-(3-hydroxybutyl)-N,4-dimethylbenzamide
CID 115993845
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(difluoromethylsulfanyl)-N-methylbenzamide
CID 55518274
N-(3-hydroxybutyl)-N-methylthiophene-3-carboxamide
CID 111695384
N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide
CID 79200943
N-(5-bromopentyl)-N-methyl-4-propan-2-yloxybenzamide
CID 107206141
N-(3-amino-4-methylpentyl)-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide;hydrochloride
CID 119658985

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(3-hydroxybutyl)-N-methylbenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-(3-hydroxybutyl)-N-methylbenzamide (CID 115673441) is 4-(difluoromethoxy)-N-(3-hydroxybutyl)-N-methylbenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-(3-hydroxybutyl)-N-methylbenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-(3-hydroxybutyl)-N-methylbenzamide is CC(O)CCN(C)C(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-(3-hydroxybutyl)-N-methylbenzamide?
The InChIKey is PQDJDXJSDGMMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3/c1-9(17)7-8-16(2)12(18)10-3-5-11(6-4-10)19-13(14)15/h3-6,9,13,17H,7-8H2,1-2H3.
What are the key properties of 4-(difluoromethoxy)-N-(3-hydroxybutyl)-N-methylbenzamide?
4-(difluoromethoxy)-N-(3-hydroxybutyl)-N-methylbenzamide has a molecular weight of 273.28 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(3-hydroxybutyl)-N-methylbenzamide is sourced from PubChem (CID 115673441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).