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

C14H22FN3O — CID 63110466

IUPAC2-amino-N-[2-(dimethylamino)ethyl]-4-fluoro-N-propylbenzamide
SMILESCCCN(CCN(C)C)C(=O)c1ccc(F)cc1N
InChIInChI=1S/C14H22FN3O/c1-4-7-18(9-8-17(2)3)14(19)12-6-5-11(15)10-13(12)16/h5-6,10H,4,7-9,16H2,1-3H3
InChIKeyXFGUVXGPXIKLCN-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.82
Rot. Bonds6

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

2-amino-N-[2-(dimethylamino)ethyl]-4-fluoro-N-propylbenzamide (PubChem CID 63110466) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)ethyl]-4-fluoro-N-propylbenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)ethyl]-4-fluoro-N-propylbenzamide
PubChem CID63110466
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name2-amino-N-[2-(dimethylamino)ethyl]-4-fluoro-N-propylbenzamide
SMILESCCCN(CCN(C)C)C(=O)c1ccc(F)cc1N
InChIInChI=1S/C14H22FN3O/c1-4-7-18(9-8-17(2)3)14(19)12-6-5-11(15)10-13(12)16/h5-6,10H,4,7-9,16H2,1-3H3
InChIKeyXFGUVXGPXIKLCN-UHFFFAOYSA-N
XLogP1.82
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-[2-(dimethylamino)ethyl]-4-fluoro-N-propylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide
CID 113468555
N-[2-(dimethylamino)ethyl]-2-fluoro-4-methyl-N-propylbenzamide
CID 79796018
N-[2-(dimethylamino)ethyl]-2-fluoro-4-hydroxy-N-propylbenzamide
CID 104929967
2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzamide
CID 55228471
2-amino-N-[2-(diethylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide
CID 63110325
2-amino-4-chloro-N,N-dipropylbenzamide
CID 16771430
2-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide
CID 63110267
2-amino-N-benzyl-N-ethyl-4-fluorobenzamide
CID 63109647
2-amino-N,N-bis(2-amino-2-oxoethyl)-4-fluorobenzamide
CID 63110451
4-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide
CID 81241040
2-amino-N-[2-(dimethylamino)ethyl]-5-nitro-N-propylbenzamide
CID 62161614
2-amino-N,N-dipropylbenzamide
CID 16769117

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-4-fluoro-N-propylbenzamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-4-fluoro-N-propylbenzamide (CID 63110466) is 2-amino-N-[2-(dimethylamino)ethyl]-4-fluoro-N-propylbenzamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)ethyl]-4-fluoro-N-propylbenzamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)ethyl]-4-fluoro-N-propylbenzamide is CCCN(CCN(C)C)C(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)ethyl]-4-fluoro-N-propylbenzamide?
The InChIKey is XFGUVXGPXIKLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-4-7-18(9-8-17(2)3)14(19)12-6-5-11(15)10-13(12)16/h5-6,10H,4,7-9,16H2,1-3H3.
What are the key properties of 2-amino-N-[2-(dimethylamino)ethyl]-4-fluoro-N-propylbenzamide?
2-amino-N-[2-(dimethylamino)ethyl]-4-fluoro-N-propylbenzamide has a molecular weight of 267.35 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)ethyl]-4-fluoro-N-propylbenzamide is sourced from PubChem (CID 63110466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).