2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(3-methylphenyl)methyl]acetamide

C17H19ClN2O2 — CID 56787280

IUPAC2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CNc2cc(CO)ccc2Cl)c1
InChIInChI=1S/C17H19ClN2O2/c1-12-3-2-4-13(7-12)9-20-17(22)10-19-16-8-14(11-21)5-6-15(16)18/h2-8,19,21H,9-11H2,1H3,(H,20,22)
InChIKeyRWPKDLGGLVXXNO-UHFFFAOYSA-N
MW318.80 g/mol
LogP2.87
Rot. Bonds6

About 2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(3-methylphenyl)methyl]acetamide

2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 56787280) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID56787280
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CNc2cc(CO)ccc2Cl)c1
InChIInChI=1S/C17H19ClN2O2/c1-12-3-2-4-13(7-12)9-20-17(22)10-19-16-8-14(11-21)5-6-15(16)18/h2-8,19,21H,9-11H2,1H3,(H,20,22)
InChIKeyRWPKDLGGLVXXNO-UHFFFAOYSA-N
XLogP2.87
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(3-methylphenyl)methyl]acetamide (CID 56787280) is 2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)CNc2cc(CO)ccc2Cl)c1.
What is the InChIKey of 2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is RWPKDLGGLVXXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-12-3-2-4-13(7-12)9-20-17(22)10-19-16-8-14(11-21)5-6-15(16)18/h2-8,19,21H,9-11H2,1H3,(H,20,22).
What are the key properties of 2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(3-methylphenyl)methyl]acetamide?
2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 318.80 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 56787280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).