3,5-difluoro-N-(2-hydroxypropyl)-N-methyl-4-(methylamino)benzamide

C12H16F2N2O2 — CID 63185592

IUPAC3,5-difluoro-N-(2-hydroxypropyl)-N-methyl-4-(methylamino)benzamide
SMILESCNc1c(F)cc(C(=O)N(C)CC(C)O)cc1F
InChIInChI=1S/C12H16F2N2O2/c1-7(17)6-16(3)12(18)8-4-9(13)11(15-2)10(14)5-8/h4-5,7,15,17H,6H2,1-3H3
InChIKeyQDVANJRDOJUQLG-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.46
Rot. Bonds4

About 3,5-difluoro-N-(2-hydroxypropyl)-N-methyl-4-(methylamino)benzamide

3,5-difluoro-N-(2-hydroxypropyl)-N-methyl-4-(methylamino)benzamide (PubChem CID 63185592) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3,5-difluoro-N-(2-hydroxypropyl)-N-methyl-4-(methylamino)benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-(2-hydroxypropyl)-N-methyl-4-(methylamino)benzamide
PubChem CID63185592
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name3,5-difluoro-N-(2-hydroxypropyl)-N-methyl-4-(methylamino)benzamide
SMILESCNc1c(F)cc(C(=O)N(C)CC(C)O)cc1F
InChIInChI=1S/C12H16F2N2O2/c1-7(17)6-16(3)12(18)8-4-9(13)11(15-2)10(14)5-8/h4-5,7,15,17H,6H2,1-3H3
InChIKeyQDVANJRDOJUQLG-UHFFFAOYSA-N
XLogP1.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylpropyl)-3,5-difluoro-N-methyl-4-(methylamino)benzamide
CID 63185670
4-chloro-3-fluoro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 103876616
3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide
CID 63707118
N-(2-hydroxypropyl)-N,3-dimethyl-4-(methylamino)benzamide
CID 55162088
4-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334746
3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)benzamide
CID 63185292
4-(ethylamino)-3,5-difluoro-N-methyl-N-propan-2-ylbenzamide
CID 63187051
N,N-dibutyl-3,5-difluoro-4-(methylamino)benzamide
CID 63187331
N-cyclopropyl-3,5-difluoro-4-(methylamino)-N-propylbenzamide
CID 63187160
3,4,5-trifluoro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 63188876
3,5-difluoro-N-(2-fluorophenyl)-N-methyl-4-(methylamino)benzamide
CID 63185745
2,3-difluoro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 55110703

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(2-hydroxypropyl)-N-methyl-4-(methylamino)benzamide?
The IUPAC name of 3,5-difluoro-N-(2-hydroxypropyl)-N-methyl-4-(methylamino)benzamide (CID 63185592) is 3,5-difluoro-N-(2-hydroxypropyl)-N-methyl-4-(methylamino)benzamide.
What is the SMILES notation for 3,5-difluoro-N-(2-hydroxypropyl)-N-methyl-4-(methylamino)benzamide?
The canonical SMILES for 3,5-difluoro-N-(2-hydroxypropyl)-N-methyl-4-(methylamino)benzamide is CNc1c(F)cc(C(=O)N(C)CC(C)O)cc1F.
What is the InChIKey of 3,5-difluoro-N-(2-hydroxypropyl)-N-methyl-4-(methylamino)benzamide?
The InChIKey is QDVANJRDOJUQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-7(17)6-16(3)12(18)8-4-9(13)11(15-2)10(14)5-8/h4-5,7,15,17H,6H2,1-3H3.
What are the key properties of 3,5-difluoro-N-(2-hydroxypropyl)-N-methyl-4-(methylamino)benzamide?
3,5-difluoro-N-(2-hydroxypropyl)-N-methyl-4-(methylamino)benzamide has a molecular weight of 258.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(2-hydroxypropyl)-N-methyl-4-(methylamino)benzamide is sourced from PubChem (CID 63185592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).