N-(4-amino-2-chlorophenyl)-2-(5-oxo-1,4-diazepan-1-yl)acetamide

C13H17ClN4O2 — CID 63004252

IUPACN-(4-amino-2-chlorophenyl)-2-(5-oxo-1,4-diazepan-1-yl)acetamide
SMILESNc1ccc(NC(=O)CN2CCNC(=O)CC2)c(Cl)c1
InChIInChI=1S/C13H17ClN4O2/c14-10-7-9(15)1-2-11(10)17-13(20)8-18-5-3-12(19)16-4-6-18/h1-2,7H,3-6,8,15H2,(H,16,19)(H,17,20)
InChIKeyRPNUMTACWDVPEF-UHFFFAOYSA-N
MW296.76 g/mol
LogP0.68
Rot. Bonds3

About N-(4-amino-2-chlorophenyl)-2-(5-oxo-1,4-diazepan-1-yl)acetamide

N-(4-amino-2-chlorophenyl)-2-(5-oxo-1,4-diazepan-1-yl)acetamide (PubChem CID 63004252) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-(5-oxo-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-(5-oxo-1,4-diazepan-1-yl)acetamide
PubChem CID63004252
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC NameN-(4-amino-2-chlorophenyl)-2-(5-oxo-1,4-diazepan-1-yl)acetamide
SMILESNc1ccc(NC(=O)CN2CCNC(=O)CC2)c(Cl)c1
InChIInChI=1S/C13H17ClN4O2/c14-10-7-9(15)1-2-11(10)17-13(20)8-18-5-3-12(19)16-4-6-18/h1-2,7H,3-6,8,15H2,(H,16,19)(H,17,20)
InChIKeyRPNUMTACWDVPEF-UHFFFAOYSA-N
XLogP0.68
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-2-(3-oxo-1,4-diazepan-1-yl)acetamide
CID 65361365
N-(2-chloro-4-fluorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 8962997
N-(4-amino-2-chlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 16791482
N-(4-amino-2-chlorophenyl)-3-(3-oxo-1,4-diazepan-1-yl)propanamide
CID 65361182
N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)acetamide
CID 61421322
2-(5-oxo-1,4-diazepan-1-yl)acetohydrazide
CID 63582967
N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide
CID 162243839
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-amino-2-chlorophenyl)acetamide
CID 115559008
N-(4-amino-2-methylphenyl)-2-(3-oxo-1,4-diazepan-1-yl)acetamide
CID 65361414
N-(4-aminophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 16778608
2-(1,4-diazepan-1-yl)-N-(2,4-dichlorophenyl)acetamide
CID 55122695
N-(4-amino-2-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)acetamide
CID 114537216

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-(5-oxo-1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-(5-oxo-1,4-diazepan-1-yl)acetamide (CID 63004252) is N-(4-amino-2-chlorophenyl)-2-(5-oxo-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-(5-oxo-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-(5-oxo-1,4-diazepan-1-yl)acetamide is Nc1ccc(NC(=O)CN2CCNC(=O)CC2)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-(5-oxo-1,4-diazepan-1-yl)acetamide?
The InChIKey is RPNUMTACWDVPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c14-10-7-9(15)1-2-11(10)17-13(20)8-18-5-3-12(19)16-4-6-18/h1-2,7H,3-6,8,15H2,(H,16,19)(H,17,20).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-(5-oxo-1,4-diazepan-1-yl)acetamide?
N-(4-amino-2-chlorophenyl)-2-(5-oxo-1,4-diazepan-1-yl)acetamide has a molecular weight of 296.76 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-(5-oxo-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 63004252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).