4-chloro-N,N'-dihydroxybenzenecarboximidamide

C7H7ClN2O2 — CID 165349472

IUPAC4-chloro-N,N'-dihydroxybenzenecarboximidamide
SMILESON=C(NO)c1ccc(Cl)cc1
InChIInChI=1S/C7H7ClN2O2/c8-6-3-1-5(2-4-6)7(9-11)10-12/h1-4,11-12H,(H,9,10)
InChIKeyJKLXIKMMRJTKMQ-UHFFFAOYSA-N
MW186.60 g/mol
LogP1.45
Rot. Bonds1

About 4-chloro-N,N'-dihydroxybenzenecarboximidamide

4-chloro-N,N'-dihydroxybenzenecarboximidamide (PubChem CID 165349472) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is 4-chloro-N,N'-dihydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N,N'-dihydroxybenzenecarboximidamide
PubChem CID165349472
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name4-chloro-N,N'-dihydroxybenzenecarboximidamide
SMILESON=C(NO)c1ccc(Cl)cc1
InChIInChI=1S/C7H7ClN2O2/c8-6-3-1-5(2-4-6)7(9-11)10-12/h1-4,11-12H,(H,9,10)
InChIKeyJKLXIKMMRJTKMQ-UHFFFAOYSA-N
XLogP1.45
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[arsanyl-(4-chlorophenyl)methylidene]hydroxylamine
CID 173159716
4-chloro-N-hydroxybenzamide
CID 587178
N-amino-4-chloro-N'-methylbenzenecarboximidamide
CID 61361047
(NE)-N-[(E)-1,3-bis(4-chlorophenyl)prop-2-enylidene]hydroxylamine
CID 70693742
(NE)-N-[(6E)-1,6-bis(4-chlorophenyl)-6-hydroxyiminohexylidene]hydroxylamine
CID 45126946
(NE)-N-[(2E)-1-(4-chlorophenyl)-2-hydroxyiminoethylidene]hydroxylamine
CID 137309663
(NE)-N-[2-amino-1-(4-chlorophenyl)ethylidene]hydroxylamine
CID 5358741
N-[1-(4-chlorophenyl)propylidene]hydroxylamine
CID 74054167
(NE)-N-[(E)-3-(4-bromophenyl)-1-(4-chlorophenyl)prop-2-enylidene]hydroxylamine
CID 11121251
1-chloro-4-[(E)-1,2-dichloro-2-(4-chlorophenyl)ethenyl]benzene
CID 13114440
N'-(3,5-dichlorophenyl)-N-hydroxybenzenecarboximidamide
CID 3813981
4-chloro-3-fluoro-N-hydroxy-N'-methylbenzenecarboximidamide
CID 167173997

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N'-dihydroxybenzenecarboximidamide?
The IUPAC name of 4-chloro-N,N'-dihydroxybenzenecarboximidamide (CID 165349472) is 4-chloro-N,N'-dihydroxybenzenecarboximidamide.
What is the SMILES notation for 4-chloro-N,N'-dihydroxybenzenecarboximidamide?
The canonical SMILES for 4-chloro-N,N'-dihydroxybenzenecarboximidamide is ON=C(NO)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N,N'-dihydroxybenzenecarboximidamide?
The InChIKey is JKLXIKMMRJTKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c8-6-3-1-5(2-4-6)7(9-11)10-12/h1-4,11-12H,(H,9,10).
What are the key properties of 4-chloro-N,N'-dihydroxybenzenecarboximidamide?
4-chloro-N,N'-dihydroxybenzenecarboximidamide has a molecular weight of 186.60 g/mol, XLogP of 1.45, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N'-dihydroxybenzenecarboximidamide is sourced from PubChem (CID 165349472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).