3,4-dichloro-N-[3-(propan-2-ylamino)propyl]benzamide

C13H18Cl2N2O — CID 142594884

IUPAC3,4-dichloro-N-[3-(propan-2-ylamino)propyl]benzamide
SMILESCC(C)NCCCNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-9(2)16-6-3-7-17-13(18)10-4-5-11(14)12(15)8-10/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyFGPUXASISUYIEJ-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.11
Rot. Bonds6

About 3,4-dichloro-N-[3-(propan-2-ylamino)propyl]benzamide

3,4-dichloro-N-[3-(propan-2-ylamino)propyl]benzamide (PubChem CID 142594884) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-(propan-2-ylamino)propyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-(propan-2-ylamino)propyl]benzamide
PubChem CID142594884
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name3,4-dichloro-N-[3-(propan-2-ylamino)propyl]benzamide
SMILESCC(C)NCCCNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-9(2)16-6-3-7-17-13(18)10-4-5-11(14)12(15)8-10/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyFGPUXASISUYIEJ-UHFFFAOYSA-N
XLogP3.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429508
1-(3,4-dichlorophenyl)-4-(propan-2-ylamino)butan-1-one
CID 116558293
N-(4-acetamidobutyl)-3,4-dichlorobenzamide
CID 110358538
3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 110418217
3,4-dichloro-N-(5-chloropentyl)benzamide
CID 107320915
3,4-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 104593713
N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
CID 111055780
3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547
N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-dichlorobenzamide
CID 113051988
3,4-dichloro-N-[2-(2-methylpropylcarbamothioylamino)ethyl]benzamide
CID 165342477
N-(3-bromo-2-methylpropyl)-3,4-dichlorobenzamide
CID 114313406
3,4-dichloro-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
CID 113064977

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-(propan-2-ylamino)propyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[3-(propan-2-ylamino)propyl]benzamide (CID 142594884) is 3,4-dichloro-N-[3-(propan-2-ylamino)propyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[3-(propan-2-ylamino)propyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[3-(propan-2-ylamino)propyl]benzamide is CC(C)NCCCNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[3-(propan-2-ylamino)propyl]benzamide?
The InChIKey is FGPUXASISUYIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-9(2)16-6-3-7-17-13(18)10-4-5-11(14)12(15)8-10/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,17,18).
What are the key properties of 3,4-dichloro-N-[3-(propan-2-ylamino)propyl]benzamide?
3,4-dichloro-N-[3-(propan-2-ylamino)propyl]benzamide has a molecular weight of 289.21 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[3-(propan-2-ylamino)propyl]benzamide is sourced from PubChem (CID 142594884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).