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

C16H17ClN2O2 — CID 115951452

IUPAC2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1NCc1cccc(Cl)c1O
InChIInChI=1S/C16H17ClN2O2/c1-19(2)16(21)12-7-3-4-9-14(12)18-10-11-6-5-8-13(17)15(11)20/h3-9,18,20H,10H2,1-2H3
InChIKeyFZWDBBOUFLRRPK-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.36
Rot. Bonds4

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

2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide (PubChem CID 115951452) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide
PubChem CID115951452
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1NCc1cccc(Cl)c1O
InChIInChI=1S/C16H17ClN2O2/c1-19(2)16(21)12-7-3-4-9-14(12)18-10-11-6-5-8-13(17)15(11)20/h3-9,18,20H,10H2,1-2H3
InChIKeyFZWDBBOUFLRRPK-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

2-[(3-chloro-2-hydroxyphenyl)methylamino]benzoic acid
CID 112606376
2-[(2-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43432309
3-[(3-chloro-2-hydroxyphenyl)methylamino]-2-methylbenzamide
CID 115904226
4-chloro-2-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43737609
methyl 3-[(3-chloro-2-hydroxyphenyl)methylamino]-2-methylbenzoate
CID 115951267
2-chloro-6-[(2-methylsulfonylanilino)methyl]phenol
CID 115951350
2-chloro-6-[[2-(methoxymethyl)anilino]methyl]phenol
CID 112553795
2-chloro-6-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 112554995
N,N-dimethyl-2-(prop-2-ynylamino)benzamide
CID 63953084
2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylacetamide
CID 112568736
methyl 2-[(2-chlorophenyl)methylamino]benzoate
CID 43087858
3-(chloroamino)-2-hydroxy-N,N-dimethylbenzamide
CID 88939329

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide (CID 115951452) is 2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccccc1NCc1cccc(Cl)c1O.
What is the InChIKey of 2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide?
The InChIKey is FZWDBBOUFLRRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-19(2)16(21)12-7-3-4-9-14(12)18-10-11-6-5-8-13(17)15(11)20/h3-9,18,20H,10H2,1-2H3.
What are the key properties of 2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide?
2-[(3-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 2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 115951452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).