3-chloro-N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]benzamide

C18H14Cl2N4O — CID 58337731

IUPAC3-chloro-N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]benzamide
SMILES[2H]C([2H])([2H])N(c1cncnc1)c1cc(NC(=O)c2cccc(Cl)c2)ccc1Cl
InChIInChI=1S/C18H14Cl2N4O/c1-24(15-9-21-11-22-10-15)17-8-14(5-6-16(17)20)23-18(25)12-3-2-4-13(19)7-12/h2-11H,1H3,(H,23,25)/i1D3
InChIKeyRCBMFRGJXHVKMM-FIBGUPNXSA-N
MW376.26 g/mol
LogP4.80
Rot. Bonds5

About 3-chloro-N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]benzamide

3-chloro-N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]benzamide (PubChem CID 58337731) has the molecular formula C18H14Cl2N4O and a molecular weight of 376.26 g/mol. Its IUPAC name is 3-chloro-N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]benzamide
PubChem CID58337731
Molecular FormulaC18H14Cl2N4O
Molecular Weight376.26 g/mol
Exact Mass375.07
IUPAC Name3-chloro-N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]benzamide
SMILES[2H]C([2H])([2H])N(c1cncnc1)c1cc(NC(=O)c2cccc(Cl)c2)ccc1Cl
InChIInChI=1S/C18H14Cl2N4O/c1-24(15-9-21-11-22-10-15)17-8-14(5-6-16(17)20)23-18(25)12-3-2-4-13(19)7-12/h2-11H,1H3,(H,23,25)/i1D3
InChIKeyRCBMFRGJXHVKMM-FIBGUPNXSA-N
XLogP4.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]benzamide (CID 58337731) is 3-chloro-N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]benzamide is [2H]C([2H])([2H])N(c1cncnc1)c1cc(NC(=O)c2cccc(Cl)c2)ccc1Cl.
What is the InChIKey of 3-chloro-N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]benzamide?
The InChIKey is RCBMFRGJXHVKMM-FIBGUPNXSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c1-24(15-9-21-11-22-10-15)17-8-14(5-6-16(17)20)23-18(25)12-3-2-4-13(19)7-12/h2-11H,1H3,(H,23,25)/i1D3.
What are the key properties of 3-chloro-N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]benzamide?
3-chloro-N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]benzamide has a molecular weight of 376.26 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]benzamide is sourced from PubChem (CID 58337731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).