N-[(E)-(2-chlorophenyl)methylideneamino]-N'-hydroxyheptanediamide

C14H18ClN3O3 — CID 42618303

IUPACN-[(E)-(2-chlorophenyl)methylideneamino]-N'-hydroxyheptanediamide
SMILESO=C(CCCCCC(=O)N/N=C/c1ccccc1Cl)NO
InChIInChI=1S/C14H18ClN3O3/c15-12-7-5-4-6-11(12)10-16-17-13(19)8-2-1-3-9-14(20)18-21/h4-7,10,21H,1-3,8-9H2,(H,17,19)(H,18,20)/b16-10+
InChIKeyBQDLPRXPDWTCQM-MHWRWJLKSA-N
MW311.77 g/mol
LogP2.25
Rot. Bonds8

About N-[(E)-(2-chlorophenyl)methylideneamino]-N'-hydroxyheptanediamide

N-[(E)-(2-chlorophenyl)methylideneamino]-N'-hydroxyheptanediamide (PubChem CID 42618303) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is N-[(E)-(2-chlorophenyl)methylideneamino]-N'-hydroxyheptanediamide.

Molecular Properties

Compound NameN-[(E)-(2-chlorophenyl)methylideneamino]-N'-hydroxyheptanediamide
PubChem CID42618303
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC NameN-[(E)-(2-chlorophenyl)methylideneamino]-N'-hydroxyheptanediamide
SMILESO=C(CCCCCC(=O)N/N=C/c1ccccc1Cl)NO
InChIInChI=1S/C14H18ClN3O3/c15-12-7-5-4-6-11(12)10-16-17-13(19)8-2-1-3-9-14(20)18-21/h4-7,10,21H,1-3,8-9H2,(H,17,19)(H,18,20)/b16-10+
InChIKeyBQDLPRXPDWTCQM-MHWRWJLKSA-N
XLogP2.25
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(2E)-2-(2,4-dichlorobenzylidene)hydrazinyl]-N-methyl-6-oxohexanamide
CID 9593090
N-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide
CID 5334576
Benzylidenehydrazine derivative, 24
CID 42618309
N,N'-bis[(4-chlorophenyl)methylideneamino]hexanediamide
CID 241697
7-[2-[(E)-2-(2-chlorophenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide
CID 44582820
N'-[(E)-(3-chlorophenyl)methylidene]cyclopentanecarbohydrazide
CID 25237221
N'-[(E)-(2-chlorophenyl)methylidene]-2-cyanoacetohydrazide
CID 6883998
N'-(2-Chlorobenzylidene)hexadecanohydrazide
CID 45054916
N,N'-bis[(2-chlorophenyl)methylideneamino]pentanediamide
CID 267020
N'-(2-chlorobenzylidene)-2-phenylacetohydrazide
CID 5332588
N'-(2,4-dichlorobenzylidene)-2-phenylacetohydrazide
CID 5332592
N'-benzylidene-2-(4-chlorophenyl)acetohydrazide
CID 5333757

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-N'-hydroxyheptanediamide?
The IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-N'-hydroxyheptanediamide (CID 42618303) is N-[(E)-(2-chlorophenyl)methylideneamino]-N'-hydroxyheptanediamide.
What is the SMILES notation for N-[(E)-(2-chlorophenyl)methylideneamino]-N'-hydroxyheptanediamide?
The canonical SMILES for N-[(E)-(2-chlorophenyl)methylideneamino]-N'-hydroxyheptanediamide is O=C(CCCCCC(=O)N/N=C/c1ccccc1Cl)NO.
What is the InChIKey of N-[(E)-(2-chlorophenyl)methylideneamino]-N'-hydroxyheptanediamide?
The InChIKey is BQDLPRXPDWTCQM-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c15-12-7-5-4-6-11(12)10-16-17-13(19)8-2-1-3-9-14(20)18-21/h4-7,10,21H,1-3,8-9H2,(H,17,19)(H,18,20)/b16-10+.
What are the key properties of N-[(E)-(2-chlorophenyl)methylideneamino]-N'-hydroxyheptanediamide?
N-[(E)-(2-chlorophenyl)methylideneamino]-N'-hydroxyheptanediamide has a molecular weight of 311.77 g/mol, XLogP of 2.25, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chlorophenyl)methylideneamino]-N'-hydroxyheptanediamide is sourced from PubChem (CID 42618303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).