N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide

C14H21FN2O — CID 94913793

IUPACN-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide
SMILESCN(C)CCCNC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-17(2)11-3-10-16-14(18)9-6-12-4-7-13(15)8-5-12/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,16,18)
InChIKeyCHXFFGVLXRMHLB-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.83
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide

N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide (PubChem CID 94913793) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide
PubChem CID94913793
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide
SMILESCN(C)CCCNC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-17(2)11-3-10-16-14(18)9-6-12-4-7-13(15)8-5-12/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,16,18)
InChIKeyCHXFFGVLXRMHLB-UHFFFAOYSA-N
XLogP1.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.83
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]-3-(4-methylphenyl)propanamide
CID 110755343
3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide
CID 110464585
N-[3-(dimethylamino)propyl]-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 108995212
N-[2-(dimethylamino)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 11960750
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94866860
2-N-[3-(dimethylamino)propyl]-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133985
3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide
CID 70870353
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide
CID 28712797
3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide
CID 56919846
N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide
CID 134056622
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
N-(4-acetamidobutyl)-4-(4-fluorophenyl)butanamide
CID 110355184

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide (CID 94913793) is N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide is CN(C)CCCNC(=O)CCc1ccc(F)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide?
The InChIKey is CHXFFGVLXRMHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-17(2)11-3-10-16-14(18)9-6-12-4-7-13(15)8-5-12/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,16,18).
What are the key properties of N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide?
N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide has a molecular weight of 252.33 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 94913793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).