2-amino-N-[[4-[4-(3-fluorophenyl)butylamino]phenyl]methyl]propanamide

C20H26FN3O — CID 67841783

IUPAC2-amino-N-[[4-[4-(3-fluorophenyl)butylamino]phenyl]methyl]propanamide
SMILESCC(N)C(=O)NCc1ccc(NCCCCc2cccc(F)c2)cc1
InChIInChI=1S/C20H26FN3O/c1-15(22)20(25)24-14-17-8-10-19(11-9-17)23-12-3-2-5-16-6-4-7-18(21)13-16/h4,6-11,13,15,23H,2-3,5,12,14,22H2,1H3,(H,24,25)
InChIKeyKKXCYAAELKMEGR-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.22
Rot. Bonds9

About 2-amino-N-[[4-[4-(3-fluorophenyl)butylamino]phenyl]methyl]propanamide

2-amino-N-[[4-[4-(3-fluorophenyl)butylamino]phenyl]methyl]propanamide (PubChem CID 67841783) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-amino-N-[[4-[4-(3-fluorophenyl)butylamino]phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[[4-[4-(3-fluorophenyl)butylamino]phenyl]methyl]propanamide
PubChem CID67841783
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name2-amino-N-[[4-[4-(3-fluorophenyl)butylamino]phenyl]methyl]propanamide
SMILESCC(N)C(=O)NCc1ccc(NCCCCc2cccc(F)c2)cc1
InChIInChI=1S/C20H26FN3O/c1-15(22)20(25)24-14-17-8-10-19(11-9-17)23-12-3-2-5-16-6-4-7-18(21)13-16/h4,6-11,13,15,23H,2-3,5,12,14,22H2,1H3,(H,24,25)
InChIKeyKKXCYAAELKMEGR-UHFFFAOYSA-N
XLogP3.22
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(3-fluorophenyl)methyl]propanamide
CID 43123316
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838
2-[(3-fluorophenyl)methylcarbamoyl]-3-methylbutanoic acid
CID 115186223
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide
CID 43566282
4-[[[4-(3-fluorophenyl)-2-methylbutanoyl]amino]methyl]benzoic acid
CID 119165629
2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide
CID 43566283
(2S)-N-[(4-acetamidophenyl)methyl]-2-aminopropanamide
CID 78969011
(2R)-2-acetamido-N-[[4-[3-(3-fluorophenyl)propyl]phenyl]methyl]-3-methoxypropanamide
CID 44538364
N-(3-aminopropyl)-4-(3-fluorophenyl)-2-methylbutanamide
CID 119405222
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylpentanamide
CID 43566279
N-[3-(3-fluorophenyl)propyl]aniline
CID 90949937
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119273296

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-[4-(3-fluorophenyl)butylamino]phenyl]methyl]propanamide?
The IUPAC name of 2-amino-N-[[4-[4-(3-fluorophenyl)butylamino]phenyl]methyl]propanamide (CID 67841783) is 2-amino-N-[[4-[4-(3-fluorophenyl)butylamino]phenyl]methyl]propanamide.
What is the SMILES notation for 2-amino-N-[[4-[4-(3-fluorophenyl)butylamino]phenyl]methyl]propanamide?
The canonical SMILES for 2-amino-N-[[4-[4-(3-fluorophenyl)butylamino]phenyl]methyl]propanamide is CC(N)C(=O)NCc1ccc(NCCCCc2cccc(F)c2)cc1.
What is the InChIKey of 2-amino-N-[[4-[4-(3-fluorophenyl)butylamino]phenyl]methyl]propanamide?
The InChIKey is KKXCYAAELKMEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-15(22)20(25)24-14-17-8-10-19(11-9-17)23-12-3-2-5-16-6-4-7-18(21)13-16/h4,6-11,13,15,23H,2-3,5,12,14,22H2,1H3,(H,24,25).
What are the key properties of 2-amino-N-[[4-[4-(3-fluorophenyl)butylamino]phenyl]methyl]propanamide?
2-amino-N-[[4-[4-(3-fluorophenyl)butylamino]phenyl]methyl]propanamide has a molecular weight of 343.45 g/mol, XLogP of 3.22, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-[4-(3-fluorophenyl)butylamino]phenyl]methyl]propanamide is sourced from PubChem (CID 67841783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).