N-[2-chloro-4-[(2-hydroxy-3-methylphenyl)methylamino]phenyl]acetamide

C16H17ClN2O2 — CID 115904078

IUPACN-[2-chloro-4-[(2-hydroxy-3-methylphenyl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2cccc(C)c2O)cc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-10-4-3-5-12(16(10)21)9-18-13-6-7-15(14(17)8-13)19-11(2)20/h3-8,18,21H,9H2,1-2H3,(H,19,20)
InChIKeyPWVOCVYYFWKYLR-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.92
Rot. Bonds4

About N-[2-chloro-4-[(2-hydroxy-3-methylphenyl)methylamino]phenyl]acetamide

N-[2-chloro-4-[(2-hydroxy-3-methylphenyl)methylamino]phenyl]acetamide (PubChem CID 115904078) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[2-chloro-4-[(2-hydroxy-3-methylphenyl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(2-hydroxy-3-methylphenyl)methylamino]phenyl]acetamide
PubChem CID115904078
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-[2-chloro-4-[(2-hydroxy-3-methylphenyl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2cccc(C)c2O)cc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-10-4-3-5-12(16(10)21)9-18-13-6-7-15(14(17)8-13)19-11(2)20/h3-8,18,21H,9H2,1-2H3,(H,19,20)
InChIKeyPWVOCVYYFWKYLR-UHFFFAOYSA-N
XLogP3.92
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.92
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

N-[2-chloro-4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide
CID 43690141
N-[2-chloro-4-[(3-hydroxyphenyl)methylamino]phenyl]acetamide
CID 43690205
N-[5-[(2,3-dimethylphenyl)methylamino]-2-methylphenyl]acetamide
CID 60980390
N-[4-[(2-bromo-4-methylphenyl)methylamino]-2-chlorophenyl]acetamide
CID 115556688
N-[2-[(3,5-dichloro-4-hydroxyanilino)methyl]phenyl]acetamide
CID 107679126
N-[2-chloro-4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]acetamide
CID 43690236
N-[4-[(2-bromo-4-fluorophenyl)methylamino]-2-chlorophenyl]acetamide
CID 103817850
N-[2-chloro-4-[(5-methylfuran-2-yl)methylamino]phenyl]acetamide
CID 43690180
2-methyl-6-[[4-methyl-3-(trifluoromethyl)anilino]methyl]phenol
CID 115951655
2-methyl-6-[(4-methyl-3-nitroanilino)methyl]phenol
CID 115951290
2-[(3-bromo-4-iodoanilino)methyl]-6-methylphenol
CID 114261908
2-[(3-chloro-5-fluoroanilino)methyl]-6-methylphenol
CID 113351702

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(2-hydroxy-3-methylphenyl)methylamino]phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-[(2-hydroxy-3-methylphenyl)methylamino]phenyl]acetamide (CID 115904078) is N-[2-chloro-4-[(2-hydroxy-3-methylphenyl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-[(2-hydroxy-3-methylphenyl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-[(2-hydroxy-3-methylphenyl)methylamino]phenyl]acetamide is CC(=O)Nc1ccc(NCc2cccc(C)c2O)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[(2-hydroxy-3-methylphenyl)methylamino]phenyl]acetamide?
The InChIKey is PWVOCVYYFWKYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10-4-3-5-12(16(10)21)9-18-13-6-7-15(14(17)8-13)19-11(2)20/h3-8,18,21H,9H2,1-2H3,(H,19,20).
What are the key properties of N-[2-chloro-4-[(2-hydroxy-3-methylphenyl)methylamino]phenyl]acetamide?
N-[2-chloro-4-[(2-hydroxy-3-methylphenyl)methylamino]phenyl]acetamide has a molecular weight of 304.78 g/mol, XLogP of 3.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(2-hydroxy-3-methylphenyl)methylamino]phenyl]acetamide is sourced from PubChem (CID 115904078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).