3-amino-5-fluoro-N-(2-hydroxyethyl)-N,4-dimethylbenzamide

C11H15FN2O2 — CID 60862359

IUPAC3-amino-5-fluoro-N-(2-hydroxyethyl)-N,4-dimethylbenzamide
SMILESCc1c(N)cc(C(=O)N(C)CCO)cc1F
InChIInChI=1S/C11H15FN2O2/c1-7-9(12)5-8(6-10(7)13)11(16)14(2)3-4-15/h5-6,15H,3-4,13H2,1-2H3
InChIKeyXMMKVZDXJBODFP-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.78
Rot. Bonds3

About 3-amino-5-fluoro-N-(2-hydroxyethyl)-N,4-dimethylbenzamide

3-amino-5-fluoro-N-(2-hydroxyethyl)-N,4-dimethylbenzamide (PubChem CID 60862359) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-(2-hydroxyethyl)-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-(2-hydroxyethyl)-N,4-dimethylbenzamide
PubChem CID60862359
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name3-amino-5-fluoro-N-(2-hydroxyethyl)-N,4-dimethylbenzamide
SMILESCc1c(N)cc(C(=O)N(C)CCO)cc1F
InChIInChI=1S/C11H15FN2O2/c1-7-9(12)5-8(6-10(7)13)11(16)14(2)3-4-15/h5-6,15H,3-4,13H2,1-2H3
InChIKeyXMMKVZDXJBODFP-UHFFFAOYSA-N
XLogP0.78
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-fluoro-N,4-dimethyl-N-(3-methylsulfanylpropyl)benzamide
CID 114236428
3-amino-N-[2-(ethylamino)-2-oxoethyl]-5-fluoro-N,4-dimethylbenzamide
CID 61116787
3-amino-N-ethyl-5-fluoro-4-methyl-N-propylbenzamide
CID 54927290
3-amino-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide
CID 61116652
3-amino-5-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
CID 114946695
3-amino-5-fluoro-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 60861699
3-amino-5-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide
CID 63727256
4-amino-3,5-dichloro-N-(2-hydroxyethyl)-N-methylbenzamide
CID 82832639
N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63693984
3-amino-N-butyl-5-fluoro-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 61107685
3-amino-N-[2-(diethylamino)ethyl]-5-fluoro-4-methylbenzamide
CID 60860849
3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-fluoro-4-methylbenzamide
CID 61103510

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-(2-hydroxyethyl)-N,4-dimethylbenzamide?
The IUPAC name of 3-amino-5-fluoro-N-(2-hydroxyethyl)-N,4-dimethylbenzamide (CID 60862359) is 3-amino-5-fluoro-N-(2-hydroxyethyl)-N,4-dimethylbenzamide.
What is the SMILES notation for 3-amino-5-fluoro-N-(2-hydroxyethyl)-N,4-dimethylbenzamide?
The canonical SMILES for 3-amino-5-fluoro-N-(2-hydroxyethyl)-N,4-dimethylbenzamide is Cc1c(N)cc(C(=O)N(C)CCO)cc1F.
What is the InChIKey of 3-amino-5-fluoro-N-(2-hydroxyethyl)-N,4-dimethylbenzamide?
The InChIKey is XMMKVZDXJBODFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-7-9(12)5-8(6-10(7)13)11(16)14(2)3-4-15/h5-6,15H,3-4,13H2,1-2H3.
What are the key properties of 3-amino-5-fluoro-N-(2-hydroxyethyl)-N,4-dimethylbenzamide?
3-amino-5-fluoro-N-(2-hydroxyethyl)-N,4-dimethylbenzamide has a molecular weight of 226.25 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N-(2-hydroxyethyl)-N,4-dimethylbenzamide is sourced from PubChem (CID 60862359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).