N'-(3-aminopropyl)-N-[(4-chlorophenyl)methyl]-N'-formyloxamide

C13H16ClN3O3 — CID 108507762

IUPACN'-(3-aminopropyl)-N-[(4-chlorophenyl)methyl]-N'-formyloxamide
SMILESNCCCN(C=O)C(=O)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN3O3/c14-11-4-2-10(3-5-11)8-16-12(19)13(20)17(9-18)7-1-6-15/h2-5,9H,1,6-8,15H2,(H,16,19)
InChIKeyZEVRXGNFTSGDDN-UHFFFAOYSA-N
MW297.74 g/mol
LogP0.29
Rot. Bonds6

About N'-(3-aminopropyl)-N-[(4-chlorophenyl)methyl]-N'-formyloxamide

N'-(3-aminopropyl)-N-[(4-chlorophenyl)methyl]-N'-formyloxamide (PubChem CID 108507762) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is N'-(3-aminopropyl)-N-[(4-chlorophenyl)methyl]-N'-formyloxamide.

Molecular Properties

Compound NameN'-(3-aminopropyl)-N-[(4-chlorophenyl)methyl]-N'-formyloxamide
PubChem CID108507762
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC NameN'-(3-aminopropyl)-N-[(4-chlorophenyl)methyl]-N'-formyloxamide
SMILESNCCCN(C=O)C(=O)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN3O3/c14-11-4-2-10(3-5-11)8-16-12(19)13(20)17(9-18)7-1-6-15/h2-5,9H,1,6-8,15H2,(H,16,19)
InChIKeyZEVRXGNFTSGDDN-UHFFFAOYSA-N
XLogP0.29
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-aminopropyl)-N-[(2-fluorophenyl)methyl]-N'-formyloxamide
CID 108528841
N'-(3-aminopropyl)-N-(2,6-difluorophenyl)-N'-formyloxamide
CID 108522067
7-amino-N-[(4-chlorophenyl)methyl]heptanamide
CID 28738770
N-[(4-chlorophenyl)methyl]-N',N'-bis(prop-2-enyl)oxamide
CID 108507708
N'-(2-amino-2-sulfanylideneethyl)-N-[(4-chlorophenyl)methyl]oxamide
CID 43316414
1-amino-3-[(4-chlorophenyl)methyl]urea
CID 43163863
N'-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]oxamide
CID 44995823
N'-(3-aminopropyl)-N-(2,4-dimethylphenyl)-N'-formyloxamide
CID 108515462
N'-(3-aminopropyl)-N'-formyl-N-(3-methyl-2-pyridinyl)oxamide
CID 108528899
1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide
CID 113311558
N,N'-bis[(4-chlorophenyl)methyl]ethanedithioamide
CID 3033254
1-[(4-chlorophenyl)methyl]-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 38949051

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropyl)-N-[(4-chlorophenyl)methyl]-N'-formyloxamide?
The IUPAC name of N'-(3-aminopropyl)-N-[(4-chlorophenyl)methyl]-N'-formyloxamide (CID 108507762) is N'-(3-aminopropyl)-N-[(4-chlorophenyl)methyl]-N'-formyloxamide.
What is the SMILES notation for N'-(3-aminopropyl)-N-[(4-chlorophenyl)methyl]-N'-formyloxamide?
The canonical SMILES for N'-(3-aminopropyl)-N-[(4-chlorophenyl)methyl]-N'-formyloxamide is NCCCN(C=O)C(=O)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N'-(3-aminopropyl)-N-[(4-chlorophenyl)methyl]-N'-formyloxamide?
The InChIKey is ZEVRXGNFTSGDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c14-11-4-2-10(3-5-11)8-16-12(19)13(20)17(9-18)7-1-6-15/h2-5,9H,1,6-8,15H2,(H,16,19).
What are the key properties of N'-(3-aminopropyl)-N-[(4-chlorophenyl)methyl]-N'-formyloxamide?
N'-(3-aminopropyl)-N-[(4-chlorophenyl)methyl]-N'-formyloxamide has a molecular weight of 297.74 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminopropyl)-N-[(4-chlorophenyl)methyl]-N'-formyloxamide is sourced from PubChem (CID 108507762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).