3-(1-chloro-2-oxopropyl)-2-hydroxybenzenecarboximidamide

C10H11ClN2O2 — CID 175298497

IUPAC3-(1-chloro-2-oxopropyl)-2-hydroxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C(Cl)C(C)=O)c1O
InChIInChI=1S/C10H11ClN2O2/c1-5(14)8(11)6-3-2-4-7(9(6)15)10(12)13/h2-4,8,15H,1H3,(H3,12,13)
InChIKeyVNMUCJNHFISTRF-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.55
Rot. Bonds3

About 3-(1-chloro-2-oxopropyl)-2-hydroxybenzenecarboximidamide

3-(1-chloro-2-oxopropyl)-2-hydroxybenzenecarboximidamide (PubChem CID 175298497) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 3-(1-chloro-2-oxopropyl)-2-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-(1-chloro-2-oxopropyl)-2-hydroxybenzenecarboximidamide
PubChem CID175298497
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name3-(1-chloro-2-oxopropyl)-2-hydroxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C(Cl)C(C)=O)c1O
InChIInChI=1S/C10H11ClN2O2/c1-5(14)8(11)6-3-2-4-7(9(6)15)10(12)13/h2-4,8,15H,1H3,(H3,12,13)
InChIKeyVNMUCJNHFISTRF-UHFFFAOYSA-N
XLogP1.55
TPSA87.17 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[3-(1-chloro-2-oxopropyl)-2-hydroxyphenyl]-2-hydroxyacetic acid
CID 135740852
1-chloro-1-[2-hydroxy-3-(hydroxymethyl)phenyl]propan-2-one
CID 130925789
ethyl 3-(1-chloro-2-oxopropyl)-2-ethylbenzoate
CID 134645099
3-(1-chloro-2-oxopropyl)-2-ethoxycarbonylbenzoic acid
CID 134641856
1-[2,3-bis(difluoromethyl)phenyl]-1-chloropropan-2-one
CID 166640473
1-(2-amino-3-methylphenyl)-1-chloropropan-2-one
CID 130785658
ethyl 3-(1-chloro-2-oxopropyl)-2-formylbenzoate
CID 134642864
1-[2,3-bis(sulfanyl)phenyl]-1-chloropropan-2-one
CID 130936777
2-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide
CID 137025781
1-chloro-1-(2-fluoro-3-methylphenyl)propan-2-one
CID 131010218
1-(2-bromo-3-methylsulfanylphenyl)-1-chloropropan-2-one
CID 130894308
2-prop-1-en-2-ylbenzenecarboximidamide
CID 147713579

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloro-2-oxopropyl)-2-hydroxybenzenecarboximidamide?
The IUPAC name of 3-(1-chloro-2-oxopropyl)-2-hydroxybenzenecarboximidamide (CID 175298497) is 3-(1-chloro-2-oxopropyl)-2-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-(1-chloro-2-oxopropyl)-2-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-(1-chloro-2-oxopropyl)-2-hydroxybenzenecarboximidamide is [H]/N=C(\N)c1cccc(C(Cl)C(C)=O)c1O.
What is the InChIKey of 3-(1-chloro-2-oxopropyl)-2-hydroxybenzenecarboximidamide?
The InChIKey is VNMUCJNHFISTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-5(14)8(11)6-3-2-4-7(9(6)15)10(12)13/h2-4,8,15H,1H3,(H3,12,13).
What are the key properties of 3-(1-chloro-2-oxopropyl)-2-hydroxybenzenecarboximidamide?
3-(1-chloro-2-oxopropyl)-2-hydroxybenzenecarboximidamide has a molecular weight of 226.66 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloro-2-oxopropyl)-2-hydroxybenzenecarboximidamide is sourced from PubChem (CID 175298497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).