2-[4-[(5-chloro-2-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide

C16H17ClN2O2 — CID 43714112

IUPAC2-[4-[(5-chloro-2-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NCc2cc(Cl)ccc2O)cc1
InChIInChI=1S/C16H17ClN2O2/c1-18-16(21)8-11-2-5-14(6-3-11)19-10-12-9-13(17)4-7-15(12)20/h2-7,9,19-20H,8,10H2,1H3,(H,18,21)
InChIKeyZXMNQZDSEJMXPT-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.95
Rot. Bonds5

About 2-[4-[(5-chloro-2-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide

2-[4-[(5-chloro-2-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide (PubChem CID 43714112) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-[4-[(5-chloro-2-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(5-chloro-2-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide
PubChem CID43714112
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-[4-[(5-chloro-2-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NCc2cc(Cl)ccc2O)cc1
InChIInChI=1S/C16H17ClN2O2/c1-18-16(21)8-11-2-5-14(6-3-11)19-10-12-9-13(17)4-7-15(12)20/h2-7,9,19-20H,8,10H2,1H3,(H,18,21)
InChIKeyZXMNQZDSEJMXPT-UHFFFAOYSA-N
XLogP2.95
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(2,4-dichlorophenyl)methylamino]phenyl]-N-methylacetamide
CID 43713979
2-[4-[(4-bromo-3-chlorophenyl)methylamino]phenyl]-N-methylacetamide
CID 102975677
2-[4-[(2,5-dichlorophenyl)methylamino]phenyl]acetamide
CID 103844946
N-methyl-2-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 43713951
2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 43713887
2-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]acetamide
CID 66160120
3-[(5-chloro-2-hydroxyphenyl)methylamino]benzoic acid
CID 43321865
1-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]-3-methylurea
CID 66159553
2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-methylacetamide
CID 168583841
3-[(5-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide
CID 43725482
4-chloro-2-[(thiophen-3-ylamino)methyl]phenol
CID 66351861
2-[4-[(3-bromophenyl)methylamino]phenyl]-N-methylacetamide
CID 43713933

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-2-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[(5-chloro-2-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide (CID 43714112) is 2-[4-[(5-chloro-2-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(5-chloro-2-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(5-chloro-2-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(NCc2cc(Cl)ccc2O)cc1.
What is the InChIKey of 2-[4-[(5-chloro-2-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide?
The InChIKey is ZXMNQZDSEJMXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-18-16(21)8-11-2-5-14(6-3-11)19-10-12-9-13(17)4-7-15(12)20/h2-7,9,19-20H,8,10H2,1H3,(H,18,21).
What are the key properties of 2-[4-[(5-chloro-2-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide?
2-[4-[(5-chloro-2-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide has a molecular weight of 304.78 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloro-2-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 43714112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).