3,5-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide

C12H16Cl2N2O2 — CID 113430430

IUPAC3,5-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
SMILESCC(O)CNCCNC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H16Cl2N2O2/c1-8(17)7-15-2-3-16-12(18)9-4-10(13)6-11(14)5-9/h4-6,8,15,17H,2-3,7H2,1H3,(H,16,18)
InChIKeyQFVZMFJPVFJHEN-UHFFFAOYSA-N
MW291.18 g/mol
LogP1.69
Rot. Bonds6

About 3,5-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide

3,5-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide (PubChem CID 113430430) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
PubChem CID113430430
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC Name3,5-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
SMILESCC(O)CNCCNC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H16Cl2N2O2/c1-8(17)7-15-2-3-16-12(18)9-4-10(13)6-11(14)5-9/h4-6,8,15,17H,2-3,7H2,1H3,(H,16,18)
InChIKeyQFVZMFJPVFJHEN-UHFFFAOYSA-N
XLogP1.69
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-chloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 107940200
3,4-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 104593713
4-chloro-N-[2-(2-hydroxypropylamino)ethyl]-3-methylbenzamide
CID 104593499
4-chloro-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 107990807
3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide
CID 103884654
5-bromo-N-[2-(2-hydroxypropylamino)ethyl]thiophene-3-carboxamide
CID 107963728
3,5-dichloro-N-propylbenzamide
CID 2767298
N-(3-aminobutyl)-3,5-dichlorobenzamide
CID 63253948
3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide
CID 81002624
3-N-[2-(2-hydroxypropylamino)ethyl]benzene-1,3-dicarboxamide
CID 104593481
N-[2-(2-hydroxypropylamino)ethyl]-5-methylpyridine-3-carboxamide
CID 104593590
3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103770831

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide (CID 113430430) is 3,5-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide is CC(O)CNCCNC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide?
The InChIKey is QFVZMFJPVFJHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2/c1-8(17)7-15-2-3-16-12(18)9-4-10(13)6-11(14)5-9/h4-6,8,15,17H,2-3,7H2,1H3,(H,16,18).
What are the key properties of 3,5-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide?
3,5-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide has a molecular weight of 291.18 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide is sourced from PubChem (CID 113430430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).