N'-[N'-(4-chlorophenyl)carbamimidoyl]pentanimidamide

C12H17ClN4 — CID 21300079

IUPACN'-[N'-(4-chlorophenyl)carbamimidoyl]pentanimidamide
SMILESCCCC/C(N)=N/C(N)=N/c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN4/c1-2-3-4-11(14)17-12(15)16-10-7-5-9(13)6-8-10/h5-8H,2-4H2,1H3,(H4,14,15,16,17)
InChIKeyNJQMUZIPGITSBY-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.83
Rot. Bonds4

About N'-[N'-(4-chlorophenyl)carbamimidoyl]pentanimidamide

N'-[N'-(4-chlorophenyl)carbamimidoyl]pentanimidamide (PubChem CID 21300079) has the molecular formula C12H17ClN4 and a molecular weight of 252.75 g/mol. Its IUPAC name is N'-[N'-(4-chlorophenyl)carbamimidoyl]pentanimidamide.

Molecular Properties

Compound NameN'-[N'-(4-chlorophenyl)carbamimidoyl]pentanimidamide
PubChem CID21300079
Molecular FormulaC12H17ClN4
Molecular Weight252.75 g/mol
Exact Mass252.11
IUPAC NameN'-[N'-(4-chlorophenyl)carbamimidoyl]pentanimidamide
SMILESCCCC/C(N)=N/C(N)=N/c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN4/c1-2-3-4-11(14)17-12(15)16-10-7-5-9(13)6-8-10/h5-8H,2-4H2,1H3,(H4,14,15,16,17)
InChIKeyNJQMUZIPGITSBY-UHFFFAOYSA-N
XLogP2.83
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[N'-(4-chlorophenyl)carbamimidoyl]pentanimidamide?
The IUPAC name of N'-[N'-(4-chlorophenyl)carbamimidoyl]pentanimidamide (CID 21300079) is N'-[N'-(4-chlorophenyl)carbamimidoyl]pentanimidamide.
What is the SMILES notation for N'-[N'-(4-chlorophenyl)carbamimidoyl]pentanimidamide?
The canonical SMILES for N'-[N'-(4-chlorophenyl)carbamimidoyl]pentanimidamide is CCCC/C(N)=N/C(N)=N/c1ccc(Cl)cc1.
What is the InChIKey of N'-[N'-(4-chlorophenyl)carbamimidoyl]pentanimidamide?
The InChIKey is NJQMUZIPGITSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4/c1-2-3-4-11(14)17-12(15)16-10-7-5-9(13)6-8-10/h5-8H,2-4H2,1H3,(H4,14,15,16,17).
What are the key properties of N'-[N'-(4-chlorophenyl)carbamimidoyl]pentanimidamide?
N'-[N'-(4-chlorophenyl)carbamimidoyl]pentanimidamide has a molecular weight of 252.75 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-(4-chlorophenyl)carbamimidoyl]pentanimidamide is sourced from PubChem (CID 21300079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).