N-(3-chloro-2-methylphenyl)-N',N'-diethylpropanediamide

C14H19ClN2O2 — CID 108951094

IUPACN-(3-chloro-2-methylphenyl)-N',N'-diethylpropanediamide
SMILESCCN(CC)C(=O)CC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C14H19ClN2O2/c1-4-17(5-2)14(19)9-13(18)16-12-8-6-7-11(15)10(12)3/h6-8H,4-5,9H2,1-3H3,(H,16,18)
InChIKeyGPXMODMJZJAXSS-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.85
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-N',N'-diethylpropanediamide

N-(3-chloro-2-methylphenyl)-N',N'-diethylpropanediamide (PubChem CID 108951094) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-N',N'-diethylpropanediamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N',N'-diethylpropanediamide
PubChem CID108951094
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-(3-chloro-2-methylphenyl)-N',N'-diethylpropanediamide
SMILESCCN(CC)C(=O)CC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C14H19ClN2O2/c1-4-17(5-2)14(19)9-13(18)16-12-8-6-7-11(15)10(12)3/h6-8H,4-5,9H2,1-3H3,(H,16,18)
InChIKeyGPXMODMJZJAXSS-UHFFFAOYSA-N
XLogP2.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8692061
N-(3-chloro-2-methylphenyl)-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide
CID 112763311
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108955128
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
3-(3-chloro-2-methylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110890389
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
N-(3-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955086
N-(3-chloro-2-methylphenyl)-2-(N-ethylanilino)acetamide
CID 54808857
N-(3-chloro-2-methylphenyl)-2-isocyanoacetamide
CID 108814646
2-N-(3-chloro-2-methylphenyl)-6-N,6-N-diethylpyridine-2,6-dicarboxamide
CID 109098998

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N',N'-diethylpropanediamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N',N'-diethylpropanediamide (CID 108951094) is N-(3-chloro-2-methylphenyl)-N',N'-diethylpropanediamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N',N'-diethylpropanediamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N',N'-diethylpropanediamide is CCN(CC)C(=O)CC(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N',N'-diethylpropanediamide?
The InChIKey is GPXMODMJZJAXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-4-17(5-2)14(19)9-13(18)16-12-8-6-7-11(15)10(12)3/h6-8H,4-5,9H2,1-3H3,(H,16,18).
What are the key properties of N-(3-chloro-2-methylphenyl)-N',N'-diethylpropanediamide?
N-(3-chloro-2-methylphenyl)-N',N'-diethylpropanediamide has a molecular weight of 282.77 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-N',N'-diethylpropanediamide is sourced from PubChem (CID 108951094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).