2-(4-fluorophenyl)-N-methylacetamide;N'-methyl-N'-pent-4-enyl-1-phenylpropane-1,3-diamine

C24H34FN3O — CID 142004244

IUPAC2-(4-fluorophenyl)-N-methylacetamide;N'-methyl-N'-pent-4-enyl-1-phenylpropane-1,3-diamine
SMILESC=CCCCN(C)CCC(N)c1ccccc1.CNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H24N2.C9H10FNO/c1-3-4-8-12-17(2)13-11-15(16)14-9-6-5-7-10-14;1-11-9(12)6-7-2-4-8(10)5-3-7/h3,5-7,9-10,15H,1,4,8,11-13,16H2,2H3;2-5H,6H2,1H3,(H,11,12)
InChIKeyVOAZACKHSPNXCB-UHFFFAOYSA-N
MW399.55 g/mol
LogP4.09
Rot. Bonds10

About 2-(4-fluorophenyl)-N-methylacetamide;N'-methyl-N'-pent-4-enyl-1-phenylpropane-1,3-diamine

2-(4-fluorophenyl)-N-methylacetamide;N'-methyl-N'-pent-4-enyl-1-phenylpropane-1,3-diamine (PubChem CID 142004244) has the molecular formula C24H34FN3O and a molecular weight of 399.55 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methylacetamide;N'-methyl-N'-pent-4-enyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methylacetamide;N'-methyl-N'-pent-4-enyl-1-phenylpropane-1,3-diamine
PubChem CID142004244
Molecular FormulaC24H34FN3O
Molecular Weight399.55 g/mol
Exact Mass399.27
IUPAC Name2-(4-fluorophenyl)-N-methylacetamide;N'-methyl-N'-pent-4-enyl-1-phenylpropane-1,3-diamine
SMILESC=CCCCN(C)CCC(N)c1ccccc1.CNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H24N2.C9H10FNO/c1-3-4-8-12-17(2)13-11-15(16)14-9-6-5-7-10-14;1-11-9(12)6-7-2-4-8(10)5-3-7/h3,5-7,9-10,15H,1,4,8,11-13,16H2,2H3;2-5H,6H2,1H3,(H,11,12)
InChIKeyVOAZACKHSPNXCB-UHFFFAOYSA-N
XLogP4.09
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.55
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(4-fluorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine
CID 61413647
5-[[3-amino-3-(4-fluorophenyl)propyl]-methylamino]pentan-1-ol
CID 107204561
N'-[(4-chlorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine
CID 61414808
1-[(3-amino-3-phenylpropyl)-methylamino]propan-2-ol
CID 62613948
N'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine
CID 63321890
4-amino-4-phenyl-N-prop-2-enylbutanamide
CID 63323887
4-fluoro-N-methyl-N-pent-4-enylbenzamide
CID 115640348
2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92738396
(2R,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]-2-methyl-3-phenylpropanoic acid
CID 99849385
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylpent-4-en-1-amine
CID 107455677
N-methyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pent-4-en-1-amine
CID 105348315
2-[(4-fluorophenyl)methyl]hept-6-enoic acid
CID 79418629

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methylacetamide;N'-methyl-N'-pent-4-enyl-1-phenylpropane-1,3-diamine?
The IUPAC name of 2-(4-fluorophenyl)-N-methylacetamide;N'-methyl-N'-pent-4-enyl-1-phenylpropane-1,3-diamine (CID 142004244) is 2-(4-fluorophenyl)-N-methylacetamide;N'-methyl-N'-pent-4-enyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methylacetamide;N'-methyl-N'-pent-4-enyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for 2-(4-fluorophenyl)-N-methylacetamide;N'-methyl-N'-pent-4-enyl-1-phenylpropane-1,3-diamine is C=CCCCN(C)CCC(N)c1ccccc1.CNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-methylacetamide;N'-methyl-N'-pent-4-enyl-1-phenylpropane-1,3-diamine?
The InChIKey is VOAZACKHSPNXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2.C9H10FNO/c1-3-4-8-12-17(2)13-11-15(16)14-9-6-5-7-10-14;1-11-9(12)6-7-2-4-8(10)5-3-7/h3,5-7,9-10,15H,1,4,8,11-13,16H2,2H3;2-5H,6H2,1H3,(H,11,12).
What are the key properties of 2-(4-fluorophenyl)-N-methylacetamide;N'-methyl-N'-pent-4-enyl-1-phenylpropane-1,3-diamine?
2-(4-fluorophenyl)-N-methylacetamide;N'-methyl-N'-pent-4-enyl-1-phenylpropane-1,3-diamine has a molecular weight of 399.55 g/mol, XLogP of 4.09, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methylacetamide;N'-methyl-N'-pent-4-enyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 142004244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).