2-amino-N-(2-chloroprop-2-enyl)-5-hydroxybenzamide

C10H11ClN2O2 — CID 107076012

IUPAC2-amino-N-(2-chloroprop-2-enyl)-5-hydroxybenzamide
SMILESC=C(Cl)CNC(=O)c1cc(O)ccc1N
InChIInChI=1S/C10H11ClN2O2/c1-6(11)5-13-10(15)8-4-7(14)2-3-9(8)12/h2-4,14H,1,5,12H2,(H,13,15)
InChIKeyPXAMPQGYQHURRC-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.46
Rot. Bonds3

About 2-amino-N-(2-chloroprop-2-enyl)-5-hydroxybenzamide

2-amino-N-(2-chloroprop-2-enyl)-5-hydroxybenzamide (PubChem CID 107076012) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 2-amino-N-(2-chloroprop-2-enyl)-5-hydroxybenzamide.

Molecular Properties

Compound Name2-amino-N-(2-chloroprop-2-enyl)-5-hydroxybenzamide
PubChem CID107076012
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name2-amino-N-(2-chloroprop-2-enyl)-5-hydroxybenzamide
SMILESC=C(Cl)CNC(=O)c1cc(O)ccc1N
InChIInChI=1S/C10H11ClN2O2/c1-6(11)5-13-10(15)8-4-7(14)2-3-9(8)12/h2-4,14H,1,5,12H2,(H,13,15)
InChIKeyPXAMPQGYQHURRC-UHFFFAOYSA-N
XLogP1.46
TPSA75.35 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 ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-benzyl-5-hydroxybenzamide
CID 54594052
2-amino-5-hydroxy-N-(4-hydroxybutyl)benzamide
CID 102739502
2-amino-N-(2-but-3-enoxyethyl)-5-hydroxybenzamide
CID 114182874
2-amino-N-[2-(4-chlorophenyl)ethyl]-5-hydroxybenzamide
CID 107074342
2-amino-N-(cyclopentylmethyl)-5-hydroxybenzamide
CID 107074042
2-amino-5-hydroxy-N-(2-hydroxybutyl)benzamide
CID 107076071
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-hydroxybenzamide
CID 106274538
2-amino-N-(furan-2-ylmethyl)-5-hydroxybenzamide
CID 107073676
2-amino-N-[(2-bromophenyl)methyl]-5-hydroxybenzamide
CID 107074846
2-amino-N-(2-amino-2-oxoethyl)-5-chlorobenzamide
CID 16778185
2,5-dibromo-N-(2-chloroprop-2-enyl)benzamide
CID 114372871
2,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide
CID 107723898

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloroprop-2-enyl)-5-hydroxybenzamide?
The IUPAC name of 2-amino-N-(2-chloroprop-2-enyl)-5-hydroxybenzamide (CID 107076012) is 2-amino-N-(2-chloroprop-2-enyl)-5-hydroxybenzamide.
What is the SMILES notation for 2-amino-N-(2-chloroprop-2-enyl)-5-hydroxybenzamide?
The canonical SMILES for 2-amino-N-(2-chloroprop-2-enyl)-5-hydroxybenzamide is C=C(Cl)CNC(=O)c1cc(O)ccc1N.
What is the InChIKey of 2-amino-N-(2-chloroprop-2-enyl)-5-hydroxybenzamide?
The InChIKey is PXAMPQGYQHURRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-6(11)5-13-10(15)8-4-7(14)2-3-9(8)12/h2-4,14H,1,5,12H2,(H,13,15).
What are the key properties of 2-amino-N-(2-chloroprop-2-enyl)-5-hydroxybenzamide?
2-amino-N-(2-chloroprop-2-enyl)-5-hydroxybenzamide has a molecular weight of 226.66 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloroprop-2-enyl)-5-hydroxybenzamide is sourced from PubChem (CID 107076012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).