4-chloro-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride

C17H21Cl2N5O2 — CID 3080145

IUPAC4-chloro-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride
SMILESCCCc1nc(NC(=O)c2ccc(Cl)cc2)nc(N2CCOCC2)n1.Cl
InChIInChI=1S/C17H20ClN5O2.ClH/c1-2-3-14-19-16(21-15(24)12-4-6-13(18)7-5-12)22-17(20-14)23-8-10-25-11-9-23;/h4-7H,2-3,8-11H2,1H3,(H,19,20,21,22,24);1H
InChIKeyAMMHRFAGUPAHOF-UHFFFAOYSA-N
MW398.29 g/mol
LogP2.99
Rot. Bonds5

About 4-chloro-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride

4-chloro-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride (PubChem CID 3080145) has the molecular formula C17H21Cl2N5O2 and a molecular weight of 398.29 g/mol. Its IUPAC name is 4-chloro-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride
PubChem CID3080145
Molecular FormulaC17H21Cl2N5O2
Molecular Weight398.29 g/mol
Exact Mass397.11
IUPAC Name4-chloro-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride
SMILESCCCc1nc(NC(=O)c2ccc(Cl)cc2)nc(N2CCOCC2)n1.Cl
InChIInChI=1S/C17H20ClN5O2.ClH/c1-2-3-14-19-16(21-15(24)12-4-6-13(18)7-5-12)22-17(20-14)23-8-10-25-11-9-23;/h4-7H,2-3,8-11H2,1H3,(H,19,20,21,22,24);1H
InChIKeyAMMHRFAGUPAHOF-UHFFFAOYSA-N
XLogP2.99
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride with MolForge

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Related Compounds

N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide
CID 3080135
2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl carbamate
CID 3080163
4-methoxy-N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride
CID 3080150
4-methoxy-N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide
CID 3080151
ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoate;hydrochloride
CID 18580234
N-(5-chloro-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
CID 45136694
N-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)-4-propylbenzamide
CID 59175296
2-N-(4-chlorophenyl)-4-N-(4-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 7192046
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-pyrrol-1-ylbenzamide
CID 122356909
1-[4-(4-butyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea
CID 141367165
N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 55363665
4-ethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164786

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride?
The IUPAC name of 4-chloro-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride (CID 3080145) is 4-chloro-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride?
The canonical SMILES for 4-chloro-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride is CCCc1nc(NC(=O)c2ccc(Cl)cc2)nc(N2CCOCC2)n1.Cl.
What is the InChIKey of 4-chloro-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride?
The InChIKey is AMMHRFAGUPAHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2.ClH/c1-2-3-14-19-16(21-15(24)12-4-6-13(18)7-5-12)22-17(20-14)23-8-10-25-11-9-23;/h4-7H,2-3,8-11H2,1H3,(H,19,20,21,22,24);1H.
What are the key properties of 4-chloro-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride?
4-chloro-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride has a molecular weight of 398.29 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 3080145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).