N-butyl-2-(4-fluorophenoxy)-5-[(2-pyrrolidin-1-ylacetyl)amino]benzamide

C23H28FN3O3 — CID 66560068

IUPACN-butyl-2-(4-fluorophenoxy)-5-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
SMILESCCCCNC(=O)c1cc(NC(=O)CN2CCCC2)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C23H28FN3O3/c1-2-3-12-25-23(29)20-15-18(26-22(28)16-27-13-4-5-14-27)8-11-21(20)30-19-9-6-17(24)7-10-19/h6-11,15H,2-5,12-14,16H2,1H3,(H,25,29)(H,26,28)
InChIKeyGLBBOAJAEFMGOQ-UHFFFAOYSA-N
MW413.49 g/mol
LogP4.18
Rot. Bonds9

About N-butyl-2-(4-fluorophenoxy)-5-[(2-pyrrolidin-1-ylacetyl)amino]benzamide

N-butyl-2-(4-fluorophenoxy)-5-[(2-pyrrolidin-1-ylacetyl)amino]benzamide (PubChem CID 66560068) has the molecular formula C23H28FN3O3 and a molecular weight of 413.49 g/mol. Its IUPAC name is N-butyl-2-(4-fluorophenoxy)-5-[(2-pyrrolidin-1-ylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-butyl-2-(4-fluorophenoxy)-5-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
PubChem CID66560068
Molecular FormulaC23H28FN3O3
Molecular Weight413.49 g/mol
Exact Mass413.21
IUPAC NameN-butyl-2-(4-fluorophenoxy)-5-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
SMILESCCCCNC(=O)c1cc(NC(=O)CN2CCCC2)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C23H28FN3O3/c1-2-3-12-25-23(29)20-15-18(26-22(28)16-27-13-4-5-14-27)8-11-21(20)30-19-9-6-17(24)7-10-19/h6-11,15H,2-5,12-14,16H2,1H3,(H,25,29)(H,26,28)
InChIKeyGLBBOAJAEFMGOQ-UHFFFAOYSA-N
XLogP4.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-[(2-piperidin-1-ylacetyl)amino]benzamide
CID 54814797
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-hexylacetamide
CID 8804929
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
2-(azepan-1-yl)-N-(4-heptoxyphenyl)acetamide
CID 54814498
N-(4-fluorophenyl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 27849921
N-(3-ethoxypropyl)-5-[[2-(4-fluorophenyl)acetyl]amino]-2-piperidin-1-ylbenzamide
CID 3442769
5-[[2-(4-fluorophenyl)acetyl]amino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 42757051
N-butyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909784
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
N-ethyl-5-(pentylcarbamoylamino)-2-[4-[[4-[3-(piperidin-1-ylmethyl)pyrrol-1-yl]benzoyl]amino]phenoxy]benzamide
CID 69332190
N-butyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 54813916
N-butyl-2-pyrrolidin-1-ylacetamide
CID 110687965

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-fluorophenoxy)-5-[(2-pyrrolidin-1-ylacetyl)amino]benzamide?
The IUPAC name of N-butyl-2-(4-fluorophenoxy)-5-[(2-pyrrolidin-1-ylacetyl)amino]benzamide (CID 66560068) is N-butyl-2-(4-fluorophenoxy)-5-[(2-pyrrolidin-1-ylacetyl)amino]benzamide.
What is the SMILES notation for N-butyl-2-(4-fluorophenoxy)-5-[(2-pyrrolidin-1-ylacetyl)amino]benzamide?
The canonical SMILES for N-butyl-2-(4-fluorophenoxy)-5-[(2-pyrrolidin-1-ylacetyl)amino]benzamide is CCCCNC(=O)c1cc(NC(=O)CN2CCCC2)ccc1Oc1ccc(F)cc1.
What is the InChIKey of N-butyl-2-(4-fluorophenoxy)-5-[(2-pyrrolidin-1-ylacetyl)amino]benzamide?
The InChIKey is GLBBOAJAEFMGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O3/c1-2-3-12-25-23(29)20-15-18(26-22(28)16-27-13-4-5-14-27)8-11-21(20)30-19-9-6-17(24)7-10-19/h6-11,15H,2-5,12-14,16H2,1H3,(H,25,29)(H,26,28).
What are the key properties of N-butyl-2-(4-fluorophenoxy)-5-[(2-pyrrolidin-1-ylacetyl)amino]benzamide?
N-butyl-2-(4-fluorophenoxy)-5-[(2-pyrrolidin-1-ylacetyl)amino]benzamide has a molecular weight of 413.49 g/mol, XLogP of 4.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-fluorophenoxy)-5-[(2-pyrrolidin-1-ylacetyl)amino]benzamide is sourced from PubChem (CID 66560068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).