4-[4-[2-(benzylamino)ethyl]phenoxy]-2-fluorobenzamide

C22H21FN2O2 — CID 59730284

IUPAC4-[4-[2-(benzylamino)ethyl]phenoxy]-2-fluorobenzamide
SMILESNC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)cc1F
InChIInChI=1S/C22H21FN2O2/c23-21-14-19(10-11-20(21)22(24)26)27-18-8-6-16(7-9-18)12-13-25-15-17-4-2-1-3-5-17/h1-11,14,25H,12-13,15H2,(H2,24,26)
InChIKeyIHJVFKZLDJZZMO-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.05
Rot. Bonds8

About 4-[4-[2-(benzylamino)ethyl]phenoxy]-2-fluorobenzamide

4-[4-[2-(benzylamino)ethyl]phenoxy]-2-fluorobenzamide (PubChem CID 59730284) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is 4-[4-[2-(benzylamino)ethyl]phenoxy]-2-fluorobenzamide.

Molecular Properties

Compound Name4-[4-[2-(benzylamino)ethyl]phenoxy]-2-fluorobenzamide
PubChem CID59730284
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Name4-[4-[2-(benzylamino)ethyl]phenoxy]-2-fluorobenzamide
SMILESNC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)cc1F
InChIInChI=1S/C22H21FN2O2/c23-21-14-19(10-11-20(21)22(24)26)27-18-8-6-16(7-9-18)12-13-25-15-17-4-2-1-3-5-17/h1-11,14,25H,12-13,15H2,(H2,24,26)
InChIKeyIHJVFKZLDJZZMO-UHFFFAOYSA-N
XLogP4.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[(benzylamino)methyl]phenoxy]benzamide
CID 59730151
3-[4-[2-(benzylamino)ethyl]phenyl]benzamide
CID 58276622
N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]pyridine-4-carboxamide
CID 11597008
2-[4-[(2-phenylethylamino)methyl]phenyl]acetic acid
CID 103234125
3-[[2-(4-methoxyphenyl)ethylamino]methyl]benzamide
CID 28574208
5-chloro-2-[(4-phenoxyphenyl)methylamino]benzamide
CID 141087482
2-methyl-4-[4-(methylaminomethyl)phenoxy]benzamide
CID 106486919
(5-methyl-1,2-oxazol-3-yl) N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]carbamate
CID 66731262
N-benzyl-2-phenylethanamine;butane-1,4-diamine
CID 23298616
N-[(4-methylphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17053119
N'-[[4-[4-[(2-aminoethylamino)methyl]phenoxy]phenyl]methyl]ethane-1,2-diamine
CID 154146125
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17367645

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(benzylamino)ethyl]phenoxy]-2-fluorobenzamide?
The IUPAC name of 4-[4-[2-(benzylamino)ethyl]phenoxy]-2-fluorobenzamide (CID 59730284) is 4-[4-[2-(benzylamino)ethyl]phenoxy]-2-fluorobenzamide.
What is the SMILES notation for 4-[4-[2-(benzylamino)ethyl]phenoxy]-2-fluorobenzamide?
The canonical SMILES for 4-[4-[2-(benzylamino)ethyl]phenoxy]-2-fluorobenzamide is NC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)cc1F.
What is the InChIKey of 4-[4-[2-(benzylamino)ethyl]phenoxy]-2-fluorobenzamide?
The InChIKey is IHJVFKZLDJZZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c23-21-14-19(10-11-20(21)22(24)26)27-18-8-6-16(7-9-18)12-13-25-15-17-4-2-1-3-5-17/h1-11,14,25H,12-13,15H2,(H2,24,26).
What are the key properties of 4-[4-[2-(benzylamino)ethyl]phenoxy]-2-fluorobenzamide?
4-[4-[2-(benzylamino)ethyl]phenoxy]-2-fluorobenzamide has a molecular weight of 364.42 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(benzylamino)ethyl]phenoxy]-2-fluorobenzamide is sourced from PubChem (CID 59730284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).