4-amino-3,5-dichloro-N-[3-(2-methylpropoxy)propyl]benzamide

C14H20Cl2N2O2 — CID 82787820

IUPAC4-amino-3,5-dichloro-N-[3-(2-methylpropoxy)propyl]benzamide
SMILESCC(C)COCCCNC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O2/c1-9(2)8-20-5-3-4-18-14(19)10-6-11(15)13(17)12(16)7-10/h6-7,9H,3-5,8,17H2,1-2H3,(H,18,19)
InChIKeyZBRXENIYCWCTHJ-UHFFFAOYSA-N
MW319.23 g/mol
LogP3.37
Rot. Bonds7

About 4-amino-3,5-dichloro-N-[3-(2-methylpropoxy)propyl]benzamide

4-amino-3,5-dichloro-N-[3-(2-methylpropoxy)propyl]benzamide (PubChem CID 82787820) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-[3-(2-methylpropoxy)propyl]benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-[3-(2-methylpropoxy)propyl]benzamide
PubChem CID82787820
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC Name4-amino-3,5-dichloro-N-[3-(2-methylpropoxy)propyl]benzamide
SMILESCC(C)COCCCNC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O2/c1-9(2)8-20-5-3-4-18-14(19)10-6-11(15)13(17)12(16)7-10/h6-7,9H,3-5,8,17H2,1-2H3,(H,18,19)
InChIKeyZBRXENIYCWCTHJ-UHFFFAOYSA-N
XLogP3.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-hydrazinyl-N-[3-(2-methylpropoxy)propyl]pyridine-3-carboxamide
CID 114098385
4-amino-3,5-dichloro-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 82787459
4-amino-3,5-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzamide
CID 103099439
4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide
CID 103872832
4-amino-3,5-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 104600972
4-amino-3,5-dichloro-N-pentylbenzamide
CID 82786165
4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide
CID 82832737
4-amino-3,5-dichloro-N-octylbenzamide
CID 82832749
N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide
CID 43582844
N-[3-(2-methylpropoxy)propyl]-4-sulfamoylbenzamide
CID 103606595
5-iodo-N-[3-(2-methylpropoxy)propyl]thiophene-3-carboxamide
CID 78949637
4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide
CID 103873774

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-[3-(2-methylpropoxy)propyl]benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-[3-(2-methylpropoxy)propyl]benzamide (CID 82787820) is 4-amino-3,5-dichloro-N-[3-(2-methylpropoxy)propyl]benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-[3-(2-methylpropoxy)propyl]benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-[3-(2-methylpropoxy)propyl]benzamide is CC(C)COCCCNC(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-[3-(2-methylpropoxy)propyl]benzamide?
The InChIKey is ZBRXENIYCWCTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2/c1-9(2)8-20-5-3-4-18-14(19)10-6-11(15)13(17)12(16)7-10/h6-7,9H,3-5,8,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-3,5-dichloro-N-[3-(2-methylpropoxy)propyl]benzamide?
4-amino-3,5-dichloro-N-[3-(2-methylpropoxy)propyl]benzamide has a molecular weight of 319.23 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-[3-(2-methylpropoxy)propyl]benzamide is sourced from PubChem (CID 82787820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).