2-(1,4-diazepan-1-yl)-N-[(3-fluorophenyl)methyl]acetamide

C14H20FN3O — CID 62838248

IUPAC2-(1,4-diazepan-1-yl)-N-[(3-fluorophenyl)methyl]acetamide
SMILESO=C(CN1CCCNCC1)NCc1cccc(F)c1
InChIInChI=1S/C14H20FN3O/c15-13-4-1-3-12(9-13)10-17-14(19)11-18-7-2-5-16-6-8-18/h1,3-4,9,16H,2,5-8,10-11H2,(H,17,19)
InChIKeyLBNJAZGBDYXNSL-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.74
Rot. Bonds4

About 2-(1,4-diazepan-1-yl)-N-[(3-fluorophenyl)methyl]acetamide

2-(1,4-diazepan-1-yl)-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 62838248) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID62838248
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name2-(1,4-diazepan-1-yl)-N-[(3-fluorophenyl)methyl]acetamide
SMILESO=C(CN1CCCNCC1)NCc1cccc(F)c1
InChIInChI=1S/C14H20FN3O/c15-13-4-1-3-12(9-13)10-17-14(19)11-18-7-2-5-16-6-8-18/h1,3-4,9,16H,2,5-8,10-11H2,(H,17,19)
InChIKeyLBNJAZGBDYXNSL-UHFFFAOYSA-N
XLogP0.74
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[2-(1,4-diazepan-1-yl)acetyl]amino]methyl]benzamide
CID 62839603
2-(1,4-diazepan-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide
CID 62832012
2-(1,4-diazepan-1-yl)-N-[(4-hydroxyphenyl)methyl]acetamide
CID 114332159
N-[(4-cyanophenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide
CID 62837229
N-[2-(3-chlorophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide
CID 43348758
2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 43162513
N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 110687973
N-[(4-chlorophenyl)methyl]-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195761
4-[2-(ethylamino)-2-oxoethyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 52581037
N-[(3-fluorophenyl)methyl]-2-piperidin-3-ylacetamide
CID 55105179
2-(1,4-diazepan-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 62838993
N-[(3-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetamide
CID 87015682

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-[(3-fluorophenyl)methyl]acetamide (CID 62838248) is 2-(1,4-diazepan-1-yl)-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-[(3-fluorophenyl)methyl]acetamide is O=C(CN1CCCNCC1)NCc1cccc(F)c1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is LBNJAZGBDYXNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c15-13-4-1-3-12(9-13)10-17-14(19)11-18-7-2-5-16-6-8-18/h1,3-4,9,16H,2,5-8,10-11H2,(H,17,19).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-[(3-fluorophenyl)methyl]acetamide?
2-(1,4-diazepan-1-yl)-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 265.33 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 62838248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).