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

C12H17FN2O — CID 2249894

IUPACN-[3-(dimethylamino)propyl]-4-fluorobenzamide
SMILESCN(C)CCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H17FN2O/c1-15(2)9-3-8-14-12(16)10-4-6-11(13)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyLGHONIWXOVCQRX-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.51
Rot. Bonds5

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

N-[3-(dimethylamino)propyl]-4-fluorobenzamide (PubChem CID 2249894) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-fluorobenzamide
PubChem CID2249894
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC NameN-[3-(dimethylamino)propyl]-4-fluorobenzamide
SMILESCN(C)CCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H17FN2O/c1-15(2)9-3-8-14-12(16)10-4-6-11(13)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyLGHONIWXOVCQRX-UHFFFAOYSA-N
XLogP1.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.51
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

N-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 109060264
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
4-[3-(dimethylamino)propylcarbamoyl]benzoic acid;hydrochloride
CID 163333032
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191
1-N-[3-(dimethylamino)propyl]-3-N-(4-fluorophenyl)benzene-1,3-dicarboxamide
CID 109053436
N-[3-(dimethylamino)propyl]-7-fluoro-9-oxo-10H-acridine-2-carboxamide
CID 86802615
4-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317186
4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide
CID 14959961
1-N-[3-(dimethylamino)propyl]-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109046073
N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride
CID 110755338

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-fluorobenzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-fluorobenzamide (CID 2249894) is N-[3-(dimethylamino)propyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-fluorobenzamide is CN(C)CCCNC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-fluorobenzamide?
The InChIKey is LGHONIWXOVCQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-15(2)9-3-8-14-12(16)10-4-6-11(13)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,14,16).
What are the key properties of N-[3-(dimethylamino)propyl]-4-fluorobenzamide?
N-[3-(dimethylamino)propyl]-4-fluorobenzamide has a molecular weight of 224.28 g/mol, XLogP of 1.51, 5 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-fluorobenzamide is sourced from PubChem (CID 2249894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).