3,4-dichloro-N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]benzamide

C16H15Cl2N3O2 — CID 121119964

IUPAC3,4-dichloro-N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]benzamide
SMILESO=C(NCCn1cnc(C2CC2)cc1=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2N3O2/c17-12-4-3-11(7-13(12)18)16(23)19-5-6-21-9-20-14(8-15(21)22)10-1-2-10/h3-4,7-10H,1-2,5-6H2,(H,19,23)
InChIKeyLDTZUAXBVYIEAI-UHFFFAOYSA-N
MW352.22 g/mol
LogP2.86
Rot. Bonds5

About 3,4-dichloro-N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]benzamide

3,4-dichloro-N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]benzamide (PubChem CID 121119964) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]benzamide
PubChem CID121119964
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC Name3,4-dichloro-N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]benzamide
SMILESO=C(NCCn1cnc(C2CC2)cc1=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2N3O2/c17-12-4-3-11(7-13(12)18)16(23)19-5-6-21-9-20-14(8-15(21)22)10-1-2-10/h3-4,7-10H,1-2,5-6H2,(H,19,23)
InChIKeyLDTZUAXBVYIEAI-UHFFFAOYSA-N
XLogP2.86
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,4-dimethylbenzamide
CID 71795178
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide
CID 119099474
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 121120366
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 119099491
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,5-dinitrobenzamide
CID 121120469
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 119099471
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 121120062
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-phenyltriazole-4-carboxamide
CID 121120018
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea
CID 121120160
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-fluorophenyl)urea
CID 121120173
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide
CID 121119929
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 119099509

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]benzamide (CID 121119964) is 3,4-dichloro-N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]benzamide is O=C(NCCn1cnc(C2CC2)cc1=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
The InChIKey is LDTZUAXBVYIEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c17-12-4-3-11(7-13(12)18)16(23)19-5-6-21-9-20-14(8-15(21)22)10-1-2-10/h3-4,7-10H,1-2,5-6H2,(H,19,23).
What are the key properties of 3,4-dichloro-N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
3,4-dichloro-N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]benzamide has a molecular weight of 352.22 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 121119964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).