3-chloro-N-[1-(4-chlorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]benzamide

C17H15Cl2N3O — CID 35754651

IUPAC3-chloro-N-[1-(4-chlorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]benzamide
SMILESO=C(NC1=NCCCN1c1ccc(Cl)cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H15Cl2N3O/c18-13-5-7-15(8-6-13)22-10-2-9-20-17(22)21-16(23)12-3-1-4-14(19)11-12/h1,3-8,11H,2,9-10H2,(H,20,21,23)
InChIKeyOKNZYKTWBAUFNO-UHFFFAOYSA-N
MW348.23 g/mol
LogP3.99
Rot. Bonds2

About 3-chloro-N-[1-(4-chlorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]benzamide

3-chloro-N-[1-(4-chlorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]benzamide (PubChem CID 35754651) has the molecular formula C17H15Cl2N3O and a molecular weight of 348.23 g/mol. Its IUPAC name is 3-chloro-N-[1-(4-chlorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[1-(4-chlorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]benzamide
PubChem CID35754651
Molecular FormulaC17H15Cl2N3O
Molecular Weight348.23 g/mol
Exact Mass347.06
IUPAC Name3-chloro-N-[1-(4-chlorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]benzamide
SMILESO=C(NC1=NCCCN1c1ccc(Cl)cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H15Cl2N3O/c18-13-5-7-15(8-6-13)22-10-2-9-20-17(22)21-16(23)12-3-1-4-14(19)11-12/h1,3-8,11H,2,9-10H2,(H,20,21,23)
InChIKeyOKNZYKTWBAUFNO-UHFFFAOYSA-N
XLogP3.99
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687271
N-[1-(4-bromophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-chlorobenzamide
CID 35754615
3-chloro-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 38139828
3-chloro-N-pyrrolidin-1-ylbenzamide
CID 54164805
N-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-4-methoxybenzamide
CID 35755059
3-chloro-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 3511290
3-chloro-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
CID 50882082
3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544619
3-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 3011465
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3-chloro-N-(2-chloropyrimidin-4-yl)benzamide
CID 116798431
3-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17172890

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(4-chlorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]benzamide?
The IUPAC name of 3-chloro-N-[1-(4-chlorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]benzamide (CID 35754651) is 3-chloro-N-[1-(4-chlorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[1-(4-chlorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]benzamide?
The canonical SMILES for 3-chloro-N-[1-(4-chlorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]benzamide is O=C(NC1=NCCCN1c1ccc(Cl)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[1-(4-chlorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]benzamide?
The InChIKey is OKNZYKTWBAUFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O/c18-13-5-7-15(8-6-13)22-10-2-9-20-17(22)21-16(23)12-3-1-4-14(19)11-12/h1,3-8,11H,2,9-10H2,(H,20,21,23).
What are the key properties of 3-chloro-N-[1-(4-chlorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]benzamide?
3-chloro-N-[1-(4-chlorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]benzamide has a molecular weight of 348.23 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(4-chlorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]benzamide is sourced from PubChem (CID 35754651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).