N-(2,5-dichlorophenyl)-2,2-dimethyl-N'-pentylpropanediamide

C16H22Cl2N2O2 — CID 108966461

IUPACN-(2,5-dichlorophenyl)-2,2-dimethyl-N'-pentylpropanediamide
SMILESCCCCCNC(=O)C(C)(C)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H22Cl2N2O2/c1-4-5-6-9-19-14(21)16(2,3)15(22)20-13-10-11(17)7-8-12(13)18/h7-8,10H,4-6,9H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyXGYXCZGWFBLOLY-UHFFFAOYSA-N
MW345.27 g/mol
LogP4.26
Rot. Bonds7

About N-(2,5-dichlorophenyl)-2,2-dimethyl-N'-pentylpropanediamide

N-(2,5-dichlorophenyl)-2,2-dimethyl-N'-pentylpropanediamide (PubChem CID 108966461) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2,2-dimethyl-N'-pentylpropanediamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2,2-dimethyl-N'-pentylpropanediamide
PubChem CID108966461
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC NameN-(2,5-dichlorophenyl)-2,2-dimethyl-N'-pentylpropanediamide
SMILESCCCCCNC(=O)C(C)(C)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H22Cl2N2O2/c1-4-5-6-9-19-14(21)16(2,3)15(22)20-13-10-11(17)7-8-12(13)18/h7-8,10H,4-6,9H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyXGYXCZGWFBLOLY-UHFFFAOYSA-N
XLogP4.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dichlorophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960336
N-(2,5-dichlorophenyl)-2,2-dimethylbutanamide
CID 4629651
1-(2,5-dichlorophenyl)-3-heptylthiourea
CID 19650844
N-butan-2-yl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108958327
N-(2,4-dichlorophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959789
N-(2,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962504
N-(2,5-dichlorophenyl)hexanamide
CID 5055577
N-(2,5-dichlorophenyl)heptanamide
CID 3294645
N-(5-chloro-2-methylphenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108966968
N-(4-tert-butylphenyl)-2,2-dimethyl-N'-pentylpropanediamide
CID 108966394
4-chloro-3-(pentylcarbamoylamino)benzoic acid
CID 61181680
N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-pentylpropanediamide
CID 108962686

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2,2-dimethyl-N'-pentylpropanediamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2,2-dimethyl-N'-pentylpropanediamide (CID 108966461) is N-(2,5-dichlorophenyl)-2,2-dimethyl-N'-pentylpropanediamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2,2-dimethyl-N'-pentylpropanediamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2,2-dimethyl-N'-pentylpropanediamide is CCCCCNC(=O)C(C)(C)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2,2-dimethyl-N'-pentylpropanediamide?
The InChIKey is XGYXCZGWFBLOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O2/c1-4-5-6-9-19-14(21)16(2,3)15(22)20-13-10-11(17)7-8-12(13)18/h7-8,10H,4-6,9H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-(2,5-dichlorophenyl)-2,2-dimethyl-N'-pentylpropanediamide?
N-(2,5-dichlorophenyl)-2,2-dimethyl-N'-pentylpropanediamide has a molecular weight of 345.27 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2,2-dimethyl-N'-pentylpropanediamide is sourced from PubChem (CID 108966461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).