N-[3-[4-(dimethylamino)phenyl]propyl]-3-(3-fluorophenyl)butanamide

C21H27FN2O — CID 86961979

IUPACN-[3-[4-(dimethylamino)phenyl]propyl]-3-(3-fluorophenyl)butanamide
SMILESCC(CC(=O)NCCCc1ccc(N(C)C)cc1)c1cccc(F)c1
InChIInChI=1S/C21H27FN2O/c1-16(18-7-4-8-19(22)15-18)14-21(25)23-13-5-6-17-9-11-20(12-10-17)24(2)3/h4,7-12,15-16H,5-6,13-14H2,1-3H3,(H,23,25)
InChIKeyJHIZGXDTHGFZKK-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.13
Rot. Bonds8

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

N-[3-[4-(dimethylamino)phenyl]propyl]-3-(3-fluorophenyl)butanamide (PubChem CID 86961979) has the molecular formula C21H27FN2O and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]propyl]-3-(3-fluorophenyl)butanamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]propyl]-3-(3-fluorophenyl)butanamide
PubChem CID86961979
Molecular FormulaC21H27FN2O
Molecular Weight342.46 g/mol
Exact Mass342.21
IUPAC NameN-[3-[4-(dimethylamino)phenyl]propyl]-3-(3-fluorophenyl)butanamide
SMILESCC(CC(=O)NCCCc1ccc(N(C)C)cc1)c1cccc(F)c1
InChIInChI=1S/C21H27FN2O/c1-16(18-7-4-8-19(22)15-18)14-21(25)23-13-5-6-17-9-11-20(12-10-17)24(2)3/h4,7-12,15-16H,5-6,13-14H2,1-3H3,(H,23,25)
InChIKeyJHIZGXDTHGFZKK-UHFFFAOYSA-N
XLogP4.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-3-(3-fluorophenyl)butanamide
CID 119548314
3-(3-fluorophenyl)-N-[2-(methylamino)ethyl]butanamide
CID 119501543
2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(3-fluorophenyl)acetamide
CID 72890893
2-[4-[2-[3-(3-fluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid
CID 119255461
N-[2-(ethylamino)ethyl]-3-(3-fluorophenyl)butanamide;hydrochloride
CID 119506390
N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide
CID 2914347
2-(3-bromophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]acetamide
CID 86877152
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide
CID 16889405
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 42109135
N'-(2,4-difluorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
CID 16892001
(3S)-3-(3-fluorophenyl)-N-[2-(2-oxo-1-pyridinyl)ethyl]butanamide
CID 97317190
3-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]butanamide
CID 110676592

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-3-(3-fluorophenyl)butanamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-3-(3-fluorophenyl)butanamide (CID 86961979) is N-[3-[4-(dimethylamino)phenyl]propyl]-3-(3-fluorophenyl)butanamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]propyl]-3-(3-fluorophenyl)butanamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]propyl]-3-(3-fluorophenyl)butanamide is CC(CC(=O)NCCCc1ccc(N(C)C)cc1)c1cccc(F)c1.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]propyl]-3-(3-fluorophenyl)butanamide?
The InChIKey is JHIZGXDTHGFZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O/c1-16(18-7-4-8-19(22)15-18)14-21(25)23-13-5-6-17-9-11-20(12-10-17)24(2)3/h4,7-12,15-16H,5-6,13-14H2,1-3H3,(H,23,25).
What are the key properties of N-[3-[4-(dimethylamino)phenyl]propyl]-3-(3-fluorophenyl)butanamide?
N-[3-[4-(dimethylamino)phenyl]propyl]-3-(3-fluorophenyl)butanamide has a molecular weight of 342.46 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)phenyl]propyl]-3-(3-fluorophenyl)butanamide is sourced from PubChem (CID 86961979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).