N-[(Z)-(4-chlorophenyl)methylideneamino]-2,3,4,5,6-pentahydroxyhexanamide

C13H17ClN2O6 — CID 6060051

IUPACN-[(Z)-(4-chlorophenyl)methylideneamino]-2,3,4,5,6-pentahydroxyhexanamide
SMILESO=C(N/N=C\c1ccc(Cl)cc1)C(O)C(O)C(O)C(O)CO
InChIInChI=1S/C13H17ClN2O6/c14-8-3-1-7(2-4-8)5-15-16-13(22)12(21)11(20)10(19)9(18)6-17/h1-5,9-12,17-21H,6H2,(H,16,22)/b15-5-
InChIKeyYQHAMXPFJLDMRQ-WCSRMQSCSA-N
MW332.74 g/mol
LogP-1.77
Rot. Bonds7

About N-[(Z)-(4-chlorophenyl)methylideneamino]-2,3,4,5,6-pentahydroxyhexanamide

N-[(Z)-(4-chlorophenyl)methylideneamino]-2,3,4,5,6-pentahydroxyhexanamide (PubChem CID 6060051) has the molecular formula C13H17ClN2O6 and a molecular weight of 332.74 g/mol. Its IUPAC name is N-[(Z)-(4-chlorophenyl)methylideneamino]-2,3,4,5,6-pentahydroxyhexanamide.

Molecular Properties

Compound NameN-[(Z)-(4-chlorophenyl)methylideneamino]-2,3,4,5,6-pentahydroxyhexanamide
PubChem CID6060051
Molecular FormulaC13H17ClN2O6
Molecular Weight332.74 g/mol
Exact Mass332.08
IUPAC NameN-[(Z)-(4-chlorophenyl)methylideneamino]-2,3,4,5,6-pentahydroxyhexanamide
SMILESO=C(N/N=C\c1ccc(Cl)cc1)C(O)C(O)C(O)C(O)CO
InChIInChI=1S/C13H17ClN2O6/c14-8-3-1-7(2-4-8)5-15-16-13(22)12(21)11(20)10(19)9(18)6-17/h1-5,9-12,17-21H,6H2,(H,16,22)/b15-5-
InChIKeyYQHAMXPFJLDMRQ-WCSRMQSCSA-N
XLogP-1.77
TPSA142.61 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.74
LogP ≤ 5-1.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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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Related Compounds

(2S,3S,4R,5S)-2,3,4,5,6-pentahydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]hexanamide
CID 136810471
(2R,3R,4R,5S)-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2,3,4,5,6-pentahydroxyhexanamide
CID 137081252
(3R)-3-amino-N-[(E)-(4-chlorophenyl)methylideneamino]-4-cyclohexyl-2-hydroxybutanamide
CID 87998464
2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 690289
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
CID 3703961
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 2788482
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-methylphenyl)sulfanylacetamide
CID 6877546
(2R)-2-(4-chlorophenoxy)-N-[(Z)-(4-methoxyphenyl)methylideneamino]propanamide
CID 5393226
(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methylideneamino]propanamide
CID 689244
1-amino-3-[(E)-(4-chlorophenyl)methylideneamino]urea
CID 88822075
methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate
CID 5417418

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-chlorophenyl)methylideneamino]-2,3,4,5,6-pentahydroxyhexanamide?
The IUPAC name of N-[(Z)-(4-chlorophenyl)methylideneamino]-2,3,4,5,6-pentahydroxyhexanamide (CID 6060051) is N-[(Z)-(4-chlorophenyl)methylideneamino]-2,3,4,5,6-pentahydroxyhexanamide.
What is the SMILES notation for N-[(Z)-(4-chlorophenyl)methylideneamino]-2,3,4,5,6-pentahydroxyhexanamide?
The canonical SMILES for N-[(Z)-(4-chlorophenyl)methylideneamino]-2,3,4,5,6-pentahydroxyhexanamide is O=C(N/N=C\c1ccc(Cl)cc1)C(O)C(O)C(O)C(O)CO.
What is the InChIKey of N-[(Z)-(4-chlorophenyl)methylideneamino]-2,3,4,5,6-pentahydroxyhexanamide?
The InChIKey is YQHAMXPFJLDMRQ-WCSRMQSCSA-N. The full InChI is InChI=1S/C13H17ClN2O6/c14-8-3-1-7(2-4-8)5-15-16-13(22)12(21)11(20)10(19)9(18)6-17/h1-5,9-12,17-21H,6H2,(H,16,22)/b15-5-.
What are the key properties of N-[(Z)-(4-chlorophenyl)methylideneamino]-2,3,4,5,6-pentahydroxyhexanamide?
N-[(Z)-(4-chlorophenyl)methylideneamino]-2,3,4,5,6-pentahydroxyhexanamide has a molecular weight of 332.74 g/mol, XLogP of -1.77, 7 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-chlorophenyl)methylideneamino]-2,3,4,5,6-pentahydroxyhexanamide is sourced from PubChem (CID 6060051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).