2-chloro-5-[(2,4-dihydroxyphenyl)methylamino]benzamide

C14H13ClN2O3 — CID 43713579

IUPAC2-chloro-5-[(2,4-dihydroxyphenyl)methylamino]benzamide
SMILESNC(=O)c1cc(NCc2ccc(O)cc2O)ccc1Cl
InChIInChI=1S/C14H13ClN2O3/c15-12-4-2-9(5-11(12)14(16)20)17-7-8-1-3-10(18)6-13(8)19/h1-6,17-19H,7H2,(H2,16,20)
InChIKeyHQHCJEBUHYTLHO-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.46
Rot. Bonds4

About 2-chloro-5-[(2,4-dihydroxyphenyl)methylamino]benzamide

2-chloro-5-[(2,4-dihydroxyphenyl)methylamino]benzamide (PubChem CID 43713579) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 2-chloro-5-[(2,4-dihydroxyphenyl)methylamino]benzamide.

Molecular Properties

Compound Name2-chloro-5-[(2,4-dihydroxyphenyl)methylamino]benzamide
PubChem CID43713579
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name2-chloro-5-[(2,4-dihydroxyphenyl)methylamino]benzamide
SMILESNC(=O)c1cc(NCc2ccc(O)cc2O)ccc1Cl
InChIInChI=1S/C14H13ClN2O3/c15-12-4-2-9(5-11(12)14(16)20)17-7-8-1-3-10(18)6-13(8)19/h1-6,17-19H,7H2,(H2,16,20)
InChIKeyHQHCJEBUHYTLHO-UHFFFAOYSA-N
XLogP2.46
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[(4-chloro-3-fluoroanilino)methyl]benzene-1,3-diol
CID 43721464
2-chloro-4-[(2-hydroxyphenyl)methylamino]benzamide
CID 43736451
2-chloro-4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzamide
CID 61261202
4-[[4-chloro-3-(trifluoromethyl)anilino]methyl]benzene-1,3-diol
CID 43245798
2-chloro-5-[(5-fluoro-2-methylphenyl)methylamino]benzamide
CID 102670907
5-[(2-chlorophenyl)methylamino]-2-fluorobenzamide
CID 43705170
2-chloro-5-hydroxybenzamide
CID 57422942
2-chloro-4-[(2,4-dihydroxyphenyl)methylamino]benzonitrile
CID 43168403
2-chloro-5-[(2,3,4-trihydroxyphenyl)methylamino]benzoic acid
CID 107730669
4-chloro-2-[(4-hydroxyanilino)methyl]benzamide
CID 57295326
2-chloro-5-[(3-hydroxy-4-methoxyphenyl)methylamino]benzamide
CID 43713494
methyl 2-chloro-5-[(2-hydroxyphenyl)methylamino]benzoate
CID 43672704

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,4-dihydroxyphenyl)methylamino]benzamide?
The IUPAC name of 2-chloro-5-[(2,4-dihydroxyphenyl)methylamino]benzamide (CID 43713579) is 2-chloro-5-[(2,4-dihydroxyphenyl)methylamino]benzamide.
What is the SMILES notation for 2-chloro-5-[(2,4-dihydroxyphenyl)methylamino]benzamide?
The canonical SMILES for 2-chloro-5-[(2,4-dihydroxyphenyl)methylamino]benzamide is NC(=O)c1cc(NCc2ccc(O)cc2O)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(2,4-dihydroxyphenyl)methylamino]benzamide?
The InChIKey is HQHCJEBUHYTLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c15-12-4-2-9(5-11(12)14(16)20)17-7-8-1-3-10(18)6-13(8)19/h1-6,17-19H,7H2,(H2,16,20).
What are the key properties of 2-chloro-5-[(2,4-dihydroxyphenyl)methylamino]benzamide?
2-chloro-5-[(2,4-dihydroxyphenyl)methylamino]benzamide has a molecular weight of 292.72 g/mol, XLogP of 2.46, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2,4-dihydroxyphenyl)methylamino]benzamide is sourced from PubChem (CID 43713579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).