4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide

C16H15Cl2NO2 — CID 51065326

IUPAC4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
SMILESCC(CNC(=O)c1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NO2/c1-11(21-15-8-6-14(18)7-9-15)10-19-16(20)12-2-4-13(17)5-3-12/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyRCCMYQTUGCNIJD-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.19
Rot. Bonds5

About 4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide

4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide (PubChem CID 51065326) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
PubChem CID51065326
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
SMILESCC(CNC(=O)c1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NO2/c1-11(21-15-8-6-14(18)7-9-15)10-19-16(20)12-2-4-13(17)5-3-12/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyRCCMYQTUGCNIJD-UHFFFAOYSA-N
XLogP4.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(4-chlorophenoxy)propyl]acetamide;hydrochloride
CID 119335581
(2S)-2-amino-N-[2-(4-chlorophenoxy)propyl]-3-methylbutanamide
CID 15239278
4-butan-2-yloxy-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654055
N-[2-(4-chlorophenoxy)propyl]-3-hydroxy-4-methylpentanamide
CID 75431267
N-[2-(4-methoxyphenoxy)propyl]pyridine-4-carboxamide
CID 71994221
4-chloro-N-[2-[2-(4-methylphenoxy)propanoylamino]ethyl]benzamide
CID 134039933
3-[2-(4-chlorophenoxy)propylcarbamoylamino]propanoic acid
CID 122004324
1-[2-(4-chlorophenoxy)propyl]-3-(4-hydroxy-2-methylpentyl)urea
CID 111509009
N-(2-amino-2-oxoethyl)-4-[[[[2-(4-chlorophenoxy)propylamino]-(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 111680813
N-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride
CID 119996366
4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106185
2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]propanoic acid
CID 68745701

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide (CID 51065326) is 4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide is CC(CNC(=O)c1ccc(Cl)cc1)Oc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide?
The InChIKey is RCCMYQTUGCNIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-11(21-15-8-6-14(18)7-9-15)10-19-16(20)12-2-4-13(17)5-3-12/h2-9,11H,10H2,1H3,(H,19,20).
What are the key properties of 4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide?
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide has a molecular weight of 324.21 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide is sourced from PubChem (CID 51065326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).