N-[4-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-fluorobenzamide

C18H11ClF4N4O — CID 178100479

IUPACN-[4-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(Nc2nc(Cl)ncc2C(F)(F)F)cc1)c1ccccc1F
InChIInChI=1S/C18H11ClF4N4O/c19-17-24-9-13(18(21,22)23)15(27-17)25-10-5-7-11(8-6-10)26-16(28)12-3-1-2-4-14(12)20/h1-9H,(H,26,28)(H,24,25,27)
InChIKeyWVZMQFMULTXHGO-UHFFFAOYSA-N
MW410.76 g/mol
LogP5.28
Rot. Bonds4

About N-[4-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-fluorobenzamide

N-[4-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-fluorobenzamide (PubChem CID 178100479) has the molecular formula C18H11ClF4N4O and a molecular weight of 410.76 g/mol. Its IUPAC name is N-[4-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-fluorobenzamide
PubChem CID178100479
Molecular FormulaC18H11ClF4N4O
Molecular Weight410.76 g/mol
Exact Mass410.06
IUPAC NameN-[4-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(Nc2nc(Cl)ncc2C(F)(F)F)cc1)c1ccccc1F
InChIInChI=1S/C18H11ClF4N4O/c19-17-24-9-13(18(21,22)23)15(27-17)25-10-5-7-11(8-6-10)26-16(28)12-3-1-2-4-14(12)20/h1-9H,(H,26,28)(H,24,25,27)
InChIKeyWVZMQFMULTXHGO-UHFFFAOYSA-N
XLogP5.28
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.76
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3-fluoro-N-methylbenzamide
CID 86633945
2-chloro-N-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 145420271
[2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]carbamic acid
CID 90330798
2-fluoro-N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]benzamide
CID 113020153
2-fluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide
CID 90396008
2-fluoro-N-[4-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]benzamide
CID 151067192
2-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide
CID 113034912
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113020547
N-(3-bromophenyl)-2-chloro-5-(trifluoromethyl)pyrimidin-4-amine
CID 88951843
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55765590
2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019493

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-fluorobenzamide (CID 178100479) is N-[4-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-fluorobenzamide is O=C(Nc1ccc(Nc2nc(Cl)ncc2C(F)(F)F)cc1)c1ccccc1F.
What is the InChIKey of N-[4-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-fluorobenzamide?
The InChIKey is WVZMQFMULTXHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF4N4O/c19-17-24-9-13(18(21,22)23)15(27-17)25-10-5-7-11(8-6-10)26-16(28)12-3-1-2-4-14(12)20/h1-9H,(H,26,28)(H,24,25,27).
What are the key properties of N-[4-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-fluorobenzamide?
N-[4-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-fluorobenzamide has a molecular weight of 410.76 g/mol, XLogP of 5.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-fluorobenzamide is sourced from PubChem (CID 178100479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).