N-[2-(dimethylamino)ethyl]-2-fluoro-4-hydroxy-N-propylbenzamide

C14H21FN2O2 — CID 104929967

IUPACN-[2-(dimethylamino)ethyl]-2-fluoro-4-hydroxy-N-propylbenzamide
SMILESCCCN(CCN(C)C)C(=O)c1ccc(O)cc1F
InChIInChI=1S/C14H21FN2O2/c1-4-7-17(9-8-16(2)3)14(19)12-6-5-11(18)10-13(12)15/h5-6,10,18H,4,7-9H2,1-3H3
InChIKeyFSLZKLRJXDBLOY-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.95
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-fluoro-4-hydroxy-N-propylbenzamide

N-[2-(dimethylamino)ethyl]-2-fluoro-4-hydroxy-N-propylbenzamide (PubChem CID 104929967) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-fluoro-4-hydroxy-N-propylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-fluoro-4-hydroxy-N-propylbenzamide
PubChem CID104929967
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC NameN-[2-(dimethylamino)ethyl]-2-fluoro-4-hydroxy-N-propylbenzamide
SMILESCCCN(CCN(C)C)C(=O)c1ccc(O)cc1F
InChIInChI=1S/C14H21FN2O2/c1-4-7-17(9-8-16(2)3)14(19)12-6-5-11(18)10-13(12)15/h5-6,10,18H,4,7-9H2,1-3H3
InChIKeyFSLZKLRJXDBLOY-UHFFFAOYSA-N
XLogP1.95
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-fluoro-4-methyl-N-propylbenzamide
CID 79796018
2-[(2-fluoro-4-hydroxybenzoyl)-propylamino]acetic acid
CID 107674770
N-(2-chloroethyl)-N-ethyl-2-fluoro-4-hydroxybenzamide
CID 107677539
3-[ethyl-(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid
CID 107674771
N-(3-bromopropyl)-N-ethyl-2-fluoro-4-hydroxybenzamide
CID 107677720
N-[2-(dimethylamino)ethyl]-3-fluoro-N-propylpyridine-4-carboxamide
CID 115646479
2-amino-N-[2-(dimethylamino)ethyl]-4-fluoro-N-propylbenzamide
CID 63110466
N-ethyl-2-fluoro-4-methyl-N-propylbenzamide
CID 79779356
2-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 78805083
2-fluoro-4-hydroxy-N-methyl-N-pentan-2-ylbenzamide
CID 113355617
N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-propylbenzamide
CID 104939182
N-butan-2-yl-N-butyl-2-fluoro-4-hydroxybenzamide
CID 107676641

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-fluoro-4-hydroxy-N-propylbenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-fluoro-4-hydroxy-N-propylbenzamide (CID 104929967) is N-[2-(dimethylamino)ethyl]-2-fluoro-4-hydroxy-N-propylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-fluoro-4-hydroxy-N-propylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-fluoro-4-hydroxy-N-propylbenzamide is CCCN(CCN(C)C)C(=O)c1ccc(O)cc1F.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-fluoro-4-hydroxy-N-propylbenzamide?
The InChIKey is FSLZKLRJXDBLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-4-7-17(9-8-16(2)3)14(19)12-6-5-11(18)10-13(12)15/h5-6,10,18H,4,7-9H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-fluoro-4-hydroxy-N-propylbenzamide?
N-[2-(dimethylamino)ethyl]-2-fluoro-4-hydroxy-N-propylbenzamide has a molecular weight of 268.33 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-fluoro-4-hydroxy-N-propylbenzamide is sourced from PubChem (CID 104929967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).