5-amino-2,3-dichloro-N-[3-oxo-3-(propylamino)propyl]benzamide

C13H17Cl2N3O2 — CID 107184920

IUPAC5-amino-2,3-dichloro-N-[3-oxo-3-(propylamino)propyl]benzamide
SMILESCCCNC(=O)CCNC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2N3O2/c1-2-4-17-11(19)3-5-18-13(20)9-6-8(16)7-10(14)12(9)15/h6-7H,2-5,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyLCJGGVTZRCGCMB-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.22
Rot. Bonds6

About 5-amino-2,3-dichloro-N-[3-oxo-3-(propylamino)propyl]benzamide

5-amino-2,3-dichloro-N-[3-oxo-3-(propylamino)propyl]benzamide (PubChem CID 107184920) has the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-[3-oxo-3-(propylamino)propyl]benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-[3-oxo-3-(propylamino)propyl]benzamide
PubChem CID107184920
Molecular FormulaC13H17Cl2N3O2
Molecular Weight318.20 g/mol
Exact Mass317.07
IUPAC Name5-amino-2,3-dichloro-N-[3-oxo-3-(propylamino)propyl]benzamide
SMILESCCCNC(=O)CCNC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2N3O2/c1-2-4-17-11(19)3-5-18-13(20)9-6-8(16)7-10(14)12(9)15/h6-7H,2-5,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyLCJGGVTZRCGCMB-UHFFFAOYSA-N
XLogP2.22
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,3-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 107185821
5-amino-2,3-dichloro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 107183561
[3-(ethylamino)-3-oxopropyl] 5-amino-2,3-dichlorobenzoate
CID 107199189
5-amino-2,3-dichloro-N-[(1-ethylcyclopropyl)methyl]benzamide
CID 114098995
5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211060
5-amino-2,3-dichloro-N-(3-sulfamoylpropyl)benzamide
CID 107184918
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2,3-dichlorobenzamide
CID 107185636
4-amino-2-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 115738491
2-amino-N-[3-oxo-3-(propylamino)propyl]benzamide;hydrochloride
CID 119944917
5-amino-2,3-dichloro-N-(2-hydroxy-3-methylbutyl)benzamide
CID 107185931
2-amino-6-chloro-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 63660396
2,3-dichloro-N-[3-(ethylamino)-3-oxopropyl]-5-nitrobenzamide
CID 107189376

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-[3-oxo-3-(propylamino)propyl]benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-[3-oxo-3-(propylamino)propyl]benzamide (CID 107184920) is 5-amino-2,3-dichloro-N-[3-oxo-3-(propylamino)propyl]benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-[3-oxo-3-(propylamino)propyl]benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-[3-oxo-3-(propylamino)propyl]benzamide is CCCNC(=O)CCNC(=O)c1cc(N)cc(Cl)c1Cl.
What is the InChIKey of 5-amino-2,3-dichloro-N-[3-oxo-3-(propylamino)propyl]benzamide?
The InChIKey is LCJGGVTZRCGCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O2/c1-2-4-17-11(19)3-5-18-13(20)9-6-8(16)7-10(14)12(9)15/h6-7H,2-5,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 5-amino-2,3-dichloro-N-[3-oxo-3-(propylamino)propyl]benzamide?
5-amino-2,3-dichloro-N-[3-oxo-3-(propylamino)propyl]benzamide has a molecular weight of 318.20 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-[3-oxo-3-(propylamino)propyl]benzamide is sourced from PubChem (CID 107184920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).