N-[3-(dimethylamino)propyl]-4-ethyl-2-fluorobenzamide

C14H21FN2O — CID 123952804

IUPACN-[3-(dimethylamino)propyl]-4-ethyl-2-fluorobenzamide
SMILESCCc1ccc(C(=O)NCCCN(C)C)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-4-11-6-7-12(13(15)10-11)14(18)16-8-5-9-17(2)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)
InChIKeyGLHOPAANXOACKR-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.07
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-4-ethyl-2-fluorobenzamide

N-[3-(dimethylamino)propyl]-4-ethyl-2-fluorobenzamide (PubChem CID 123952804) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-ethyl-2-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-ethyl-2-fluorobenzamide
PubChem CID123952804
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[3-(dimethylamino)propyl]-4-ethyl-2-fluorobenzamide
SMILESCCc1ccc(C(=O)NCCCN(C)C)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-4-11-6-7-12(13(15)10-11)14(18)16-8-5-9-17(2)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)
InChIKeyGLHOPAANXOACKR-UHFFFAOYSA-N
XLogP2.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2-fluoro-N-(3-piperidin-1-ylpropyl)benzamide
CID 123849951
4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide;4-bromo-2-fluorobenzoic acid
CID 68845235
N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide
CID 19656256
N-[3-(dimethylamino)propyl]-4-hydroxy-2-methylbenzamide
CID 103863454
N,N,4-triethyl-2-fluorobenzamide
CID 69055558
4-amino-2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106033010
2,4-difluoro-N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]benzamide
CID 110886148
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
N-[3-(dimethylamino)propyl]-2,4,5-trimethylbenzamide
CID 95970652
N-[3-(dimethylamino)propyl]-2-methyl-5-sulfanylbenzamide
CID 107021313
2-fluoro-4-methyl-N-pentylbenzamide
CID 79770349
N-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 3471977

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-ethyl-2-fluorobenzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-ethyl-2-fluorobenzamide (CID 123952804) is N-[3-(dimethylamino)propyl]-4-ethyl-2-fluorobenzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-ethyl-2-fluorobenzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-ethyl-2-fluorobenzamide is CCc1ccc(C(=O)NCCCN(C)C)c(F)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-ethyl-2-fluorobenzamide?
The InChIKey is GLHOPAANXOACKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-4-11-6-7-12(13(15)10-11)14(18)16-8-5-9-17(2)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18).
What are the key properties of N-[3-(dimethylamino)propyl]-4-ethyl-2-fluorobenzamide?
N-[3-(dimethylamino)propyl]-4-ethyl-2-fluorobenzamide has a molecular weight of 252.33 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-ethyl-2-fluorobenzamide is sourced from PubChem (CID 123952804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).