2,6-dichloro-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide

C11H11Cl2N3O — CID 2807357

IUPAC2,6-dichloro-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
SMILESO=C(NC1=NCCCN1)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H11Cl2N3O/c12-7-3-1-4-8(13)9(7)10(17)16-11-14-5-2-6-15-11/h1,3-4H,2,5-6H2,(H2,14,15,16,17)
InChIKeyKWKGWWYZPMGYND-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.07
Rot. Bonds1

About 2,6-dichloro-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide

2,6-dichloro-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide (PubChem CID 2807357) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.13 g/mol. Its IUPAC name is 2,6-dichloro-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
PubChem CID2807357
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.13 g/mol
Exact Mass271.03
IUPAC Name2,6-dichloro-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
SMILESO=C(NC1=NCCCN1)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H11Cl2N3O/c12-7-3-1-4-8(13)9(7)10(17)16-11-14-5-2-6-15-11/h1,3-4H,2,5-6H2,(H2,14,15,16,17)
InChIKeyKWKGWWYZPMGYND-UHFFFAOYSA-N
XLogP2.07
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-(prop-2-en-1-yl)benzamide
CID 1769592
2,4-dichloro-N-(propan-2-ylcarbamothioyl)benzamide
CID 974405
N-[(butylamino)carbonothioyl]-2,4-dichlorobenzamide
CID 1581362
6-[3-(2,6-Dichloro-benzoyl)-ureido]-hexanoic acid hydroxyamide
CID 46890623
2,4-dichloro-N-[(isobutylamino)carbonothioyl]benzamide
CID 1581364
N-(2,5-Dichloro-benzoyl)-N''-(4-phenyl-butyl)-guanidine
CID 22149278
N-(2,6-Dichloro-benzoyl)-N''-(4-phenyl-butyl)-guanidine
CID 22149360
N-(2,3-Dichloro-benzoyl)-N''-(4-phenyl-butyl)-guanidine
CID 22149373
Benzeneacetamide, 2,6-dichloro-N-((ethylamino)iminomethyl)-
CID 3021824
Benzeneacetamide, 2,6-dichloro-N-(imino(propylamino)methyl)-
CID 3021825
2-chloro-N-{1-[(2-chlorobenzoyl)amino]ethyl}benzamide
CID 773825
2,6-dichloro-N-[3-(diethylamino)propyl]benzamide
CID 1581465

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide?
The IUPAC name of 2,6-dichloro-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide (CID 2807357) is 2,6-dichloro-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide?
The canonical SMILES for 2,6-dichloro-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide is O=C(NC1=NCCCN1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide?
The InChIKey is KWKGWWYZPMGYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c12-7-3-1-4-8(13)9(7)10(17)16-11-14-5-2-6-15-11/h1,3-4H,2,5-6H2,(H2,14,15,16,17).
What are the key properties of 2,6-dichloro-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide?
2,6-dichloro-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide has a molecular weight of 272.13 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide is sourced from PubChem (CID 2807357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).