4-chloro-3-[(2,4-dihydroxyphenyl)methylamino]-N-methylbenzamide

C15H15ClN2O3 — CID 43720990

IUPAC4-chloro-3-[(2,4-dihydroxyphenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(NCc2ccc(O)cc2O)c1
InChIInChI=1S/C15H15ClN2O3/c1-17-15(21)9-3-5-12(16)13(6-9)18-8-10-2-4-11(19)7-14(10)20/h2-7,18-20H,8H2,1H3,(H,17,21)
InChIKeyLBSYPAPFFMBVBZ-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.72
Rot. Bonds4

About 4-chloro-3-[(2,4-dihydroxyphenyl)methylamino]-N-methylbenzamide

4-chloro-3-[(2,4-dihydroxyphenyl)methylamino]-N-methylbenzamide (PubChem CID 43720990) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 4-chloro-3-[(2,4-dihydroxyphenyl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[(2,4-dihydroxyphenyl)methylamino]-N-methylbenzamide
PubChem CID43720990
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name4-chloro-3-[(2,4-dihydroxyphenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(NCc2ccc(O)cc2O)c1
InChIInChI=1S/C15H15ClN2O3/c1-17-15(21)9-3-5-12(16)13(6-9)18-8-10-2-4-11(19)7-14(10)20/h2-7,18-20H,8H2,1H3,(H,17,21)
InChIKeyLBSYPAPFFMBVBZ-UHFFFAOYSA-N
XLogP2.72
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.72
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-chloro-3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzamide
CID 43720994
4-chloro-3-[(3-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide
CID 81147765
4-chloro-3-[(5-ethylfuran-2-yl)methylamino]-N-methylbenzamide
CID 62345627
4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzamide
CID 43720922
4-chloro-3-[(3-fluoro-4-methylphenyl)methylamino]-N-methylbenzamide
CID 63646037
4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzamide
CID 79419893
4-chloro-N-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzamide
CID 43786064
3-[(3-aminothiophen-2-yl)methylamino]-4-chloro-N-methylbenzamide
CID 66387552
2-chloro-5-[(2,4-dihydroxyphenyl)methylamino]benzamide
CID 43713579
4-[(2,4-dihydroxyphenyl)methylsulfamoylmethyl]-N-methylbenzamide
CID 167811468
3-[(2-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 43432295
3-[(2-hydroxy-5-methylphenyl)methylamino]-N,4-dimethylbenzamide
CID 63324723

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2,4-dihydroxyphenyl)methylamino]-N-methylbenzamide?
The IUPAC name of 4-chloro-3-[(2,4-dihydroxyphenyl)methylamino]-N-methylbenzamide (CID 43720990) is 4-chloro-3-[(2,4-dihydroxyphenyl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-3-[(2,4-dihydroxyphenyl)methylamino]-N-methylbenzamide?
The canonical SMILES for 4-chloro-3-[(2,4-dihydroxyphenyl)methylamino]-N-methylbenzamide is CNC(=O)c1ccc(Cl)c(NCc2ccc(O)cc2O)c1.
What is the InChIKey of 4-chloro-3-[(2,4-dihydroxyphenyl)methylamino]-N-methylbenzamide?
The InChIKey is LBSYPAPFFMBVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-17-15(21)9-3-5-12(16)13(6-9)18-8-10-2-4-11(19)7-14(10)20/h2-7,18-20H,8H2,1H3,(H,17,21).
What are the key properties of 4-chloro-3-[(2,4-dihydroxyphenyl)methylamino]-N-methylbenzamide?
4-chloro-3-[(2,4-dihydroxyphenyl)methylamino]-N-methylbenzamide has a molecular weight of 306.75 g/mol, XLogP of 2.72, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2,4-dihydroxyphenyl)methylamino]-N-methylbenzamide is sourced from PubChem (CID 43720990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).