3-[(5-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide

C16H17ClN2O2 — CID 43725482

IUPAC3-[(5-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NCc2cc(Cl)ccc2O)c1
InChIInChI=1S/C16H17ClN2O2/c1-19(2)16(21)11-4-3-5-14(9-11)18-10-12-8-13(17)6-7-15(12)20/h3-9,18,20H,10H2,1-2H3
InChIKeyCLHCHGQABZJVEA-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.36
Rot. Bonds4

About 3-[(5-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide

3-[(5-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide (PubChem CID 43725482) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-[(5-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(5-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide
PubChem CID43725482
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name3-[(5-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NCc2cc(Cl)ccc2O)c1
InChIInChI=1S/C16H17ClN2O2/c1-19(2)16(21)11-4-3-5-14(9-11)18-10-12-8-13(17)6-7-15(12)20/h3-9,18,20H,10H2,1-2H3
InChIKeyCLHCHGQABZJVEA-UHFFFAOYSA-N
XLogP3.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-chloro-2-hydroxyphenyl)methylamino]benzoic acid
CID 43321865
3-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide
CID 107685516
4-chloro-2-[[3-[(dimethylamino)methyl]anilino]methyl]phenol
CID 43688843
3-[(2,5-dimethylphenyl)methylamino]-N,N-dimethylbenzamide
CID 60728339
4-[(2,5-dichlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 103696962
3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 17231829
3-[(2-hydroxyphenyl)methylamino]benzamide
CID 28650539
N,N-dimethyl-3-[(1-methylpyrrol-2-yl)methylamino]benzamide
CID 55039467
N,N-dimethyl-3-(pyridin-2-ylmethylamino)benzamide
CID 43725442
methyl 3-[(2,4-dichlorophenyl)methylamino]benzoate
CID 43217500
3-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 31418295
3-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29454051

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[(5-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide (CID 43725482) is 3-[(5-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(5-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(5-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NCc2cc(Cl)ccc2O)c1.
What is the InChIKey of 3-[(5-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide?
The InChIKey is CLHCHGQABZJVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-19(2)16(21)11-4-3-5-14(9-11)18-10-12-8-13(17)6-7-15(12)20/h3-9,18,20H,10H2,1-2H3.
What are the key properties of 3-[(5-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide?
3-[(5-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide has a molecular weight of 304.78 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 43725482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).