2-[2-(4-chlorophenyl)-2-hydroxypropyl]-N-methylbenzamide

C17H18ClNO2 — CID 4165818

IUPAC2-[2-(4-chlorophenyl)-2-hydroxypropyl]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1CC(C)(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO2/c1-17(21,13-7-9-14(18)10-8-13)11-12-5-3-4-6-15(12)16(20)19-2/h3-10,21H,11H2,1-2H3,(H,19,20)
InChIKeyRORNSAGDKFJVNK-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.15
Rot. Bonds4

About 2-[2-(4-chlorophenyl)-2-hydroxypropyl]-N-methylbenzamide

2-[2-(4-chlorophenyl)-2-hydroxypropyl]-N-methylbenzamide (PubChem CID 4165818) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-2-hydroxypropyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-2-hydroxypropyl]-N-methylbenzamide
PubChem CID4165818
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-[2-(4-chlorophenyl)-2-hydroxypropyl]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1CC(C)(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO2/c1-17(21,13-7-9-14(18)10-8-13)11-12-5-3-4-6-15(12)16(20)19-2/h3-10,21H,11H2,1-2H3,(H,19,20)
InChIKeyRORNSAGDKFJVNK-UHFFFAOYSA-N
XLogP3.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-2-hydroxypropyl]-N-methylbenzamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-2-hydroxypropyl]-N-methylbenzamide (CID 4165818) is 2-[2-(4-chlorophenyl)-2-hydroxypropyl]-N-methylbenzamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-2-hydroxypropyl]-N-methylbenzamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-2-hydroxypropyl]-N-methylbenzamide is CNC(=O)c1ccccc1CC(C)(O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-2-hydroxypropyl]-N-methylbenzamide?
The InChIKey is RORNSAGDKFJVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-17(21,13-7-9-14(18)10-8-13)11-12-5-3-4-6-15(12)16(20)19-2/h3-10,21H,11H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-(4-chlorophenyl)-2-hydroxypropyl]-N-methylbenzamide?
2-[2-(4-chlorophenyl)-2-hydroxypropyl]-N-methylbenzamide has a molecular weight of 303.79 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-2-hydroxypropyl]-N-methylbenzamide is sourced from PubChem (CID 4165818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).