N'-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]propanediamide

C13H17ClFN3O2 — CID 108943891

IUPACN'-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]propanediamide
SMILESCN(C)CCNC(=O)CC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H17ClFN3O2/c1-18(2)6-5-16-12(19)8-13(20)17-9-3-4-11(15)10(14)7-9/h3-4,7H,5-6,8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyUOHZGUHKFQLODU-UHFFFAOYSA-N
MW301.75 g/mol
LogP1.49
Rot. Bonds6

About N'-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]propanediamide

N'-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]propanediamide (PubChem CID 108943891) has the molecular formula C13H17ClFN3O2 and a molecular weight of 301.75 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]propanediamide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]propanediamide
PubChem CID108943891
Molecular FormulaC13H17ClFN3O2
Molecular Weight301.75 g/mol
Exact Mass301.10
IUPAC NameN'-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]propanediamide
SMILESCN(C)CCNC(=O)CC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H17ClFN3O2/c1-18(2)6-5-16-12(19)8-13(20)17-9-3-4-11(15)10(14)7-9/h3-4,7H,5-6,8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyUOHZGUHKFQLODU-UHFFFAOYSA-N
XLogP1.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 51.49
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'-(3-chloro-4-fluorophenyl)-N-pentylpropanediamide
CID 108951922
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955334
1-(3-chloro-4-fluorophenyl)-3-[3-(dimethylamino)propanoylamino]thiourea
CID 8786836
N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943910
N'-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943931
3-[[4-(3-chloro-4-fluoroanilino)-4-oxobutanoyl]amino]propanoic acid
CID 50985332
N'-(2-tert-butylphenyl)-N-(3-chloro-4-fluorophenyl)propanediamide
CID 108954633
N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 849199
N'-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 7585401
N'-(2,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]propanediamide
CID 108944302
2-(3-chloro-4-fluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide
CID 109008699
3-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 31418295

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]propanediamide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]propanediamide (CID 108943891) is N'-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]propanediamide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]propanediamide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]propanediamide is CN(C)CCNC(=O)CC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]propanediamide?
The InChIKey is UOHZGUHKFQLODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN3O2/c1-18(2)6-5-16-12(19)8-13(20)17-9-3-4-11(15)10(14)7-9/h3-4,7H,5-6,8H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N'-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]propanediamide?
N'-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]propanediamide has a molecular weight of 301.75 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]propanediamide is sourced from PubChem (CID 108943891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).