3-chloro-N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide

C18H14ClFN4O — CID 58337699

IUPAC3-chloro-N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide
SMILESCN(c1cncnc1)c1cc(F)cc(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H14ClFN4O/c1-24(17-9-21-11-22-10-17)16-7-14(20)6-15(8-16)23-18(25)12-3-2-4-13(19)5-12/h2-11H,1H3,(H,23,25)
InChIKeyLKXZAOMXNYAORT-UHFFFAOYSA-N
MW356.79 g/mol
LogP4.29
Rot. Bonds4

About 3-chloro-N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide

3-chloro-N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide (PubChem CID 58337699) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is 3-chloro-N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide
PubChem CID58337699
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC Name3-chloro-N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide
SMILESCN(c1cncnc1)c1cc(F)cc(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H14ClFN4O/c1-24(17-9-21-11-22-10-17)16-7-14(20)6-15(8-16)23-18(25)12-3-2-4-13(19)5-12/h2-11H,1H3,(H,23,25)
InChIKeyLKXZAOMXNYAORT-UHFFFAOYSA-N
XLogP4.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]benzamide
CID 51038160
3-chloro-N-(5-fluoro-3-pyridinyl)benzamide
CID 110872324
3-chloro-N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]benzamide
CID 58337731
3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide
CID 123337602
3-bromo-N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide
CID 58337626
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide
CID 123377102
3-chloro-N-(1H-pyrazol-4-yl)benzamide
CID 43429419
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
N-(3-chloro-5-fluorophenyl)-3-hydroxybenzamide
CID 107366818
N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-cyanobenzamide
CID 58349166

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide (CID 58337699) is 3-chloro-N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide is CN(c1cncnc1)c1cc(F)cc(NC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide?
The InChIKey is LKXZAOMXNYAORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c1-24(17-9-21-11-22-10-17)16-7-14(20)6-15(8-16)23-18(25)12-3-2-4-13(19)5-12/h2-11H,1H3,(H,23,25).
What are the key properties of 3-chloro-N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide?
3-chloro-N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide has a molecular weight of 356.79 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide is sourced from PubChem (CID 58337699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).