N-[(2-chlorophenyl)methyl]-2-(1,4-diazepan-1-yl)-2-oxoacetamide

C14H18ClN3O2 — CID 43327502

IUPACN-[(2-chlorophenyl)methyl]-2-(1,4-diazepan-1-yl)-2-oxoacetamide
SMILESO=C(NCc1ccccc1Cl)C(=O)N1CCCNCC1
InChIInChI=1S/C14H18ClN3O2/c15-12-5-2-1-4-11(12)10-17-13(19)14(20)18-8-3-6-16-7-9-18/h1-2,4-5,16H,3,6-10H2,(H,17,19)
InChIKeyAAOYVPGADSZQGB-UHFFFAOYSA-N
MW295.77 g/mol
LogP0.78
Rot. Bonds2

About N-[(2-chlorophenyl)methyl]-2-(1,4-diazepan-1-yl)-2-oxoacetamide

N-[(2-chlorophenyl)methyl]-2-(1,4-diazepan-1-yl)-2-oxoacetamide (PubChem CID 43327502) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(1,4-diazepan-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(1,4-diazepan-1-yl)-2-oxoacetamide
PubChem CID43327502
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(1,4-diazepan-1-yl)-2-oxoacetamide
SMILESO=C(NCc1ccccc1Cl)C(=O)N1CCCNCC1
InChIInChI=1S/C14H18ClN3O2/c15-12-5-2-1-4-11(12)10-17-13(19)14(20)18-8-3-6-16-7-9-18/h1-2,4-5,16H,3,6-10H2,(H,17,19)
InChIKeyAAOYVPGADSZQGB-UHFFFAOYSA-N
XLogP0.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,4-diazepan-1-yl)-N-[(2-fluorophenyl)methyl]-2-oxoacetamide
CID 43145106
N-benzyl-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 43144985
2-(1,4-diazepan-1-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 43145090
N-[(2-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 108503887
N-[(2-fluorophenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108517300
2-(1,4-diazepan-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-oxoacetamide
CID 62307548
2-(1,4-diazepan-1-yl)-N-[(5-methylfuran-2-yl)methyl]-2-oxoacetamide
CID 62522873
2-(1,4-diazepan-1-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 43327503
N-[(2-methoxyphenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108517303
N-[(2-chlorophenyl)methylcarbamoyl]piperidine-4-carboxamide
CID 108897742
(2-chlorophenyl)-(1,4-diazepan-1-yl)methanone
CID 16777333
1-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propan-2-one
CID 116565588

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(1,4-diazepan-1-yl)-2-oxoacetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(1,4-diazepan-1-yl)-2-oxoacetamide (CID 43327502) is N-[(2-chlorophenyl)methyl]-2-(1,4-diazepan-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(1,4-diazepan-1-yl)-2-oxoacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(1,4-diazepan-1-yl)-2-oxoacetamide is O=C(NCc1ccccc1Cl)C(=O)N1CCCNCC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(1,4-diazepan-1-yl)-2-oxoacetamide?
The InChIKey is AAOYVPGADSZQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c15-12-5-2-1-4-11(12)10-17-13(19)14(20)18-8-3-6-16-7-9-18/h1-2,4-5,16H,3,6-10H2,(H,17,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(1,4-diazepan-1-yl)-2-oxoacetamide?
N-[(2-chlorophenyl)methyl]-2-(1,4-diazepan-1-yl)-2-oxoacetamide has a molecular weight of 295.77 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(1,4-diazepan-1-yl)-2-oxoacetamide is sourced from PubChem (CID 43327502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).