[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid

C8H7ClN2O3 — CID 135408520

IUPAC[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid
SMILESO=C(O)N/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C8H7ClN2O3/c9-6-1-2-7(12)5(3-6)4-10-11-8(13)14/h1-4,11-12H,(H,13,14)/b10-4+
InChIKeyAETZGWXZIWSDGT-ONNFQVAWSA-N
MW214.61 g/mol
LogP1.65
Rot. Bonds2

About [(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid

[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid (PubChem CID 135408520) has the molecular formula C8H7ClN2O3 and a molecular weight of 214.61 g/mol. Its IUPAC name is [(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid.

Molecular Properties

Compound Name[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid
PubChem CID135408520
Molecular FormulaC8H7ClN2O3
Molecular Weight214.61 g/mol
Exact Mass214.01
IUPAC Name[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid
SMILESO=C(O)N/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C8H7ClN2O3/c9-6-1-2-7(12)5(3-6)4-10-11-8(13)14/h1-4,11-12H,(H,13,14)/b10-4+
InChIKeyAETZGWXZIWSDGT-ONNFQVAWSA-N
XLogP1.65
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.61
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea
CID 135527074
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135641867
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 136628097
1-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 155905758
1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 166685113
3,4-dibromo-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide
CID 137361726
3-[[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamothioylamino]benzoic acid
CID 136851899
(2R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 136851943
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 728473
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 135821297
4-chloro-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
CID 135688213

Frequently Asked Questions

What is the IUPAC name of [(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid?
The IUPAC name of [(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid (CID 135408520) is [(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid.
What is the SMILES notation for [(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid?
The canonical SMILES for [(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid is O=C(O)N/N=C/c1cc(Cl)ccc1O.
What is the InChIKey of [(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid?
The InChIKey is AETZGWXZIWSDGT-ONNFQVAWSA-N. The full InChI is InChI=1S/C8H7ClN2O3/c9-6-1-2-7(12)5(3-6)4-10-11-8(13)14/h1-4,11-12H,(H,13,14)/b10-4+.
What are the key properties of [(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid?
[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid has a molecular weight of 214.61 g/mol, XLogP of 1.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid is sourced from PubChem (CID 135408520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).