1-[4-[4-(aminomethyl)-2-fluorophenyl]-1,4-diazepan-1-yl]ethanone

C14H20FN3O — CID 55004144

IUPAC1-[4-[4-(aminomethyl)-2-fluorophenyl]-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCCN(c2ccc(CN)cc2F)CC1
InChIInChI=1S/C14H20FN3O/c1-11(19)17-5-2-6-18(8-7-17)14-4-3-12(10-16)9-13(14)15/h3-4,9H,2,5-8,10,16H2,1H3
InChIKeyNFXMTCTVYGHCFK-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.34
Rot. Bonds2

About 1-[4-[4-(aminomethyl)-2-fluorophenyl]-1,4-diazepan-1-yl]ethanone

1-[4-[4-(aminomethyl)-2-fluorophenyl]-1,4-diazepan-1-yl]ethanone (PubChem CID 55004144) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[4-[4-(aminomethyl)-2-fluorophenyl]-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(aminomethyl)-2-fluorophenyl]-1,4-diazepan-1-yl]ethanone
PubChem CID55004144
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name1-[4-[4-(aminomethyl)-2-fluorophenyl]-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCCN(c2ccc(CN)cc2F)CC1
InChIInChI=1S/C14H20FN3O/c1-11(19)17-5-2-6-18(8-7-17)14-4-3-12(10-16)9-13(14)15/h3-4,9H,2,5-8,10,16H2,1H3
InChIKeyNFXMTCTVYGHCFK-UHFFFAOYSA-N
XLogP1.34
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[4-(aminomethyl)-2-fluorophenyl]-1,4-diazepan-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzylamino)-N-(4-fluorophenyl)acetamide
CID 670654
N-((Acetylamino)(4-(dimethylamino)phenyl)methyl)acetamide
CID 853046
2-(Diethylamino)-N-(2-methylphenyl)acetamide
CID 18570
N-[4-(aminomethyl)phenyl]acetamide
CID 15295869
N-[4-(1-azepanylmethyl)phenyl]acetamide
CID 785804
2-(4-Acetyl-piperazin-1-yl)-N-(5-fluoro-2-methyl-phenyl)-acetamide
CID 1448807
2-(azepan-1-yl)-N-(3-methylphenyl)acetamide
CID 1537229
2-(4-benzylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 2099416
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 2539057
N-{4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl}acetamide
CID 3752897
N-(4-methylphenyl)azepane-1-carboxamide
CID 7913332
3-(4-Methyl-piperazin-1-yl)-N-p-tolyl-propionamide
CID 23724217

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(aminomethyl)-2-fluorophenyl]-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(aminomethyl)-2-fluorophenyl]-1,4-diazepan-1-yl]ethanone (CID 55004144) is 1-[4-[4-(aminomethyl)-2-fluorophenyl]-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(aminomethyl)-2-fluorophenyl]-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(aminomethyl)-2-fluorophenyl]-1,4-diazepan-1-yl]ethanone is CC(=O)N1CCCN(c2ccc(CN)cc2F)CC1.
What is the InChIKey of 1-[4-[4-(aminomethyl)-2-fluorophenyl]-1,4-diazepan-1-yl]ethanone?
The InChIKey is NFXMTCTVYGHCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-11(19)17-5-2-6-18(8-7-17)14-4-3-12(10-16)9-13(14)15/h3-4,9H,2,5-8,10,16H2,1H3.
What are the key properties of 1-[4-[4-(aminomethyl)-2-fluorophenyl]-1,4-diazepan-1-yl]ethanone?
1-[4-[4-(aminomethyl)-2-fluorophenyl]-1,4-diazepan-1-yl]ethanone has a molecular weight of 265.33 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(aminomethyl)-2-fluorophenyl]-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 55004144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).