N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-fluorobenzamide

C18H14ClFN4O — CID 58337720

IUPACN-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-fluorobenzamide
SMILESCN(c1cncnc1)c1cc(NC(=O)c2cccc(F)c2)ccc1Cl
InChIInChI=1S/C18H14ClFN4O/c1-24(15-9-21-11-22-10-15)17-8-14(5-6-16(17)19)23-18(25)12-3-2-4-13(20)7-12/h2-11H,1H3,(H,23,25)
InChIKeyRZNFAFGFEQORPP-UHFFFAOYSA-N
MW356.79 g/mol
LogP4.29
Rot. Bonds4

About N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-fluorobenzamide

N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-fluorobenzamide (PubChem CID 58337720) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-fluorobenzamide
PubChem CID58337720
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC NameN-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-fluorobenzamide
SMILESCN(c1cncnc1)c1cc(NC(=O)c2cccc(F)c2)ccc1Cl
InChIInChI=1S/C18H14ClFN4O/c1-24(15-9-21-11-22-10-15)17-8-14(5-6-16(17)19)23-18(25)12-3-2-4-13(20)7-12/h2-11H,1H3,(H,23,25)
InChIKeyRZNFAFGFEQORPP-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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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-fluorobenzamide?
The IUPAC name of N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-fluorobenzamide (CID 58337720) is N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-fluorobenzamide?
The canonical SMILES for N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-fluorobenzamide is CN(c1cncnc1)c1cc(NC(=O)c2cccc(F)c2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-fluorobenzamide?
The InChIKey is RZNFAFGFEQORPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c1-24(15-9-21-11-22-10-15)17-8-14(5-6-16(17)19)23-18(25)12-3-2-4-13(20)7-12/h2-11H,1H3,(H,23,25).
What are the key properties of N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-fluorobenzamide?
N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-fluorobenzamide 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 N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-fluorobenzamide is sourced from PubChem (CID 58337720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).