N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-2-methylpropanamide

C15H23FN2O — CID 110298783

IUPACN-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-2-methylpropanamide
SMILESCC(Cc1ccccc1F)C(=O)NCCCN(C)C
InChIInChI=1S/C15H23FN2O/c1-12(11-13-7-4-5-8-14(13)16)15(19)17-9-6-10-18(2)3/h4-5,7-8,12H,6,9-11H2,1-3H3,(H,17,19)
InChIKeySDKNFDHWANMEHF-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.07
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-2-methylpropanamide

N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-2-methylpropanamide (PubChem CID 110298783) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-2-methylpropanamide
PubChem CID110298783
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-2-methylpropanamide
SMILESCC(Cc1ccccc1F)C(=O)NCCCN(C)C
InChIInChI=1S/C15H23FN2O/c1-12(11-13-7-4-5-8-14(13)16)15(19)17-9-6-10-18(2)3/h4-5,7-8,12H,6,9-11H2,1-3H3,(H,17,19)
InChIKeySDKNFDHWANMEHF-UHFFFAOYSA-N
XLogP2.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
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

N-[3-(dimethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide
CID 108524813
N-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)butanamide
CID 110408284
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 110307160
N-[3-(4-fluorophenoxy)propyl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 110307321
1-N-[3-(dimethylamino)propyl]-3-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053381
N-[2-(dimethylamino)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
CID 18917772
2-N-[3-(dimethylamino)propyl]-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133984
N-[3-(dimethylamino)propyl]-3-fluoropyridine-2-carboxamide
CID 110474763
3-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 109017050
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 110298791
3-(2-fluorophenyl)-2-methylpropanethioic S-acid
CID 139753124
2-benzyl-3-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 119234004

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-2-methylpropanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-2-methylpropanamide (CID 110298783) is N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-2-methylpropanamide is CC(Cc1ccccc1F)C(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-2-methylpropanamide?
The InChIKey is SDKNFDHWANMEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-12(11-13-7-4-5-8-14(13)16)15(19)17-9-6-10-18(2)3/h4-5,7-8,12H,6,9-11H2,1-3H3,(H,17,19).
What are the key properties of N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-2-methylpropanamide?
N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-2-methylpropanamide has a molecular weight of 266.36 g/mol, XLogP of 2.07, 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-(2-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 110298783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).