N'-(5-chloro-2-methoxyphenyl)-N-propylpropanediamide

C13H17ClN2O3 — CID 108940703

IUPACN'-(5-chloro-2-methoxyphenyl)-N-propylpropanediamide
SMILESCCCNC(=O)CC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C13H17ClN2O3/c1-3-6-15-12(17)8-13(18)16-10-7-9(14)4-5-11(10)19-2/h4-5,7H,3,6,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyLEKVSMLWWBERRZ-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.20
Rot. Bonds6

About N'-(5-chloro-2-methoxyphenyl)-N-propylpropanediamide

N'-(5-chloro-2-methoxyphenyl)-N-propylpropanediamide (PubChem CID 108940703) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxyphenyl)-N-propylpropanediamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxyphenyl)-N-propylpropanediamide
PubChem CID108940703
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC NameN'-(5-chloro-2-methoxyphenyl)-N-propylpropanediamide
SMILESCCCNC(=O)CC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C13H17ClN2O3/c1-3-6-15-12(17)8-13(18)16-10-7-9(14)4-5-11(10)19-2/h4-5,7H,3,6,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyLEKVSMLWWBERRZ-UHFFFAOYSA-N
XLogP2.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-(2,5-dimethoxyphenyl)-N-propylpropanediamide
CID 108940714
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpropanediamide
CID 108940764
(2S)-2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-propylpropanamide
CID 51928333
4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144380
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955473
N'-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)propanediamide
CID 108955242
N'-(5-chloro-2-methoxyphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945457
N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 78908383
N'-(5-chloro-2-methoxyphenyl)-N-(3-methylphenyl)propanediamide
CID 108953026
N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide
CID 129040736
N'-(5-chloro-2-methoxyphenyl)butanediamide
CID 94271903

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N-propylpropanediamide?
The IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N-propylpropanediamide (CID 108940703) is N'-(5-chloro-2-methoxyphenyl)-N-propylpropanediamide.
What is the SMILES notation for N'-(5-chloro-2-methoxyphenyl)-N-propylpropanediamide?
The canonical SMILES for N'-(5-chloro-2-methoxyphenyl)-N-propylpropanediamide is CCCNC(=O)CC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of N'-(5-chloro-2-methoxyphenyl)-N-propylpropanediamide?
The InChIKey is LEKVSMLWWBERRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-3-6-15-12(17)8-13(18)16-10-7-9(14)4-5-11(10)19-2/h4-5,7H,3,6,8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N'-(5-chloro-2-methoxyphenyl)-N-propylpropanediamide?
N'-(5-chloro-2-methoxyphenyl)-N-propylpropanediamide has a molecular weight of 284.74 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxyphenyl)-N-propylpropanediamide is sourced from PubChem (CID 108940703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).