N-(2-chlorophenyl)-N'-(cyclopentylideneamino)butanediamide

C15H18ClN3O2 — CID 833088

IUPACN-(2-chlorophenyl)-N'-(cyclopentylideneamino)butanediamide
SMILESO=C(CCC(=O)Nc1ccccc1Cl)NN=C1CCCC1
InChIInChI=1S/C15H18ClN3O2/c16-12-7-3-4-8-13(12)17-14(20)9-10-15(21)19-18-11-5-1-2-6-11/h3-4,7-8H,1-2,5-6,9-10H2,(H,17,20)(H,19,21)
InChIKeyXMWFIGAJLBTFRR-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.10
Rot. Bonds5

About N-(2-chlorophenyl)-N'-(cyclopentylideneamino)butanediamide

N-(2-chlorophenyl)-N'-(cyclopentylideneamino)butanediamide (PubChem CID 833088) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-(cyclopentylideneamino)butanediamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-(cyclopentylideneamino)butanediamide
PubChem CID833088
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-(2-chlorophenyl)-N'-(cyclopentylideneamino)butanediamide
SMILESO=C(CCC(=O)Nc1ccccc1Cl)NN=C1CCCC1
InChIInChI=1S/C15H18ClN3O2/c16-12-7-3-4-8-13(12)17-14(20)9-10-15(21)19-18-11-5-1-2-6-11/h3-4,7-8H,1-2,5-6,9-10H2,(H,17,20)(H,19,21)
InChIKeyXMWFIGAJLBTFRR-UHFFFAOYSA-N
XLogP3.10
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-(cyclopentylideneamino)butanediamide?
The IUPAC name of N-(2-chlorophenyl)-N'-(cyclopentylideneamino)butanediamide (CID 833088) is N-(2-chlorophenyl)-N'-(cyclopentylideneamino)butanediamide.
What is the SMILES notation for N-(2-chlorophenyl)-N'-(cyclopentylideneamino)butanediamide?
The canonical SMILES for N-(2-chlorophenyl)-N'-(cyclopentylideneamino)butanediamide is O=C(CCC(=O)Nc1ccccc1Cl)NN=C1CCCC1.
What is the InChIKey of N-(2-chlorophenyl)-N'-(cyclopentylideneamino)butanediamide?
The InChIKey is XMWFIGAJLBTFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c16-12-7-3-4-8-13(12)17-14(20)9-10-15(21)19-18-11-5-1-2-6-11/h3-4,7-8H,1-2,5-6,9-10H2,(H,17,20)(H,19,21).
What are the key properties of N-(2-chlorophenyl)-N'-(cyclopentylideneamino)butanediamide?
N-(2-chlorophenyl)-N'-(cyclopentylideneamino)butanediamide has a molecular weight of 307.78 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N'-(cyclopentylideneamino)butanediamide is sourced from PubChem (CID 833088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).