N-pyridin-3-yl-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide

C20H15F3N4O2 — CID 46889083

IUPACN-pyridin-3-yl-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide
SMILESO=C(Nc1ccc(C(=O)Nc2cccnc2)cc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H15F3N4O2/c21-20(22,23)14-5-9-16(10-6-14)27-19(29)26-15-7-3-13(4-8-15)18(28)25-17-2-1-11-24-12-17/h1-12H,(H,25,28)(H2,26,27,29)
InChIKeyUYEAQWCPUKNRBT-UHFFFAOYSA-N
MW400.36 g/mol
LogP5.00
Rot. Bonds4

About N-pyridin-3-yl-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide

N-pyridin-3-yl-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide (PubChem CID 46889083) has the molecular formula C20H15F3N4O2 and a molecular weight of 400.36 g/mol. Its IUPAC name is N-pyridin-3-yl-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN-pyridin-3-yl-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide
PubChem CID46889083
Molecular FormulaC20H15F3N4O2
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC NameN-pyridin-3-yl-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide
SMILESO=C(Nc1ccc(C(=O)Nc2cccnc2)cc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H15F3N4O2/c21-20(22,23)14-5-9-16(10-6-14)27-19(29)26-15-7-3-13(4-8-15)18(28)25-17-2-1-11-24-12-17/h1-12H,(H,25,28)(H2,26,27,29)
InChIKeyUYEAQWCPUKNRBT-UHFFFAOYSA-N
XLogP5.00
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
The IUPAC name of N-pyridin-3-yl-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide (CID 46889083) is N-pyridin-3-yl-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide.
What is the SMILES notation for N-pyridin-3-yl-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
The canonical SMILES for N-pyridin-3-yl-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide is O=C(Nc1ccc(C(=O)Nc2cccnc2)cc1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-pyridin-3-yl-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
The InChIKey is UYEAQWCPUKNRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2/c21-20(22,23)14-5-9-16(10-6-14)27-19(29)26-15-7-3-13(4-8-15)18(28)25-17-2-1-11-24-12-17/h1-12H,(H,25,28)(H2,26,27,29).
What are the key properties of N-pyridin-3-yl-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
N-pyridin-3-yl-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide has a molecular weight of 400.36 g/mol, XLogP of 5.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide is sourced from PubChem (CID 46889083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).