N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-fluoro-2-(trifluoromethyl)benzamide

C20H11Cl2F4N3O2 — CID 21075328

IUPACN-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-fluoro-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Cl)cn1)c1cc(Cl)ccc1NC(=O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C20H11Cl2F4N3O2/c21-10-1-5-16(14(7-10)19(31)29-17-6-2-11(22)9-27-17)28-18(30)13-4-3-12(23)8-15(13)20(24,25)26/h1-9H,(H,28,30)(H,27,29,31)
InChIKeyCTINYJVRMPOXBX-UHFFFAOYSA-N
MW472.23 g/mol
LogP6.05
Rot. Bonds4

About N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-fluoro-2-(trifluoromethyl)benzamide

N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-fluoro-2-(trifluoromethyl)benzamide (PubChem CID 21075328) has the molecular formula C20H11Cl2F4N3O2 and a molecular weight of 472.23 g/mol. Its IUPAC name is N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-fluoro-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-fluoro-2-(trifluoromethyl)benzamide
PubChem CID21075328
Molecular FormulaC20H11Cl2F4N3O2
Molecular Weight472.23 g/mol
Exact Mass471.02
IUPAC NameN-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-fluoro-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Cl)cn1)c1cc(Cl)ccc1NC(=O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C20H11Cl2F4N3O2/c21-10-1-5-16(14(7-10)19(31)29-17-6-2-11(22)9-27-17)28-18(30)13-4-3-12(23)8-15(13)20(24,25)26/h1-9H,(H,28,30)(H,27,29,31)
InChIKeyCTINYJVRMPOXBX-UHFFFAOYSA-N
XLogP6.05
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.23
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-fluoro-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-fluoro-2-(trifluoromethyl)benzamide (CID 21075328) is N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-fluoro-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-fluoro-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-fluoro-2-(trifluoromethyl)benzamide is O=C(Nc1ccc(Cl)cn1)c1cc(Cl)ccc1NC(=O)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-fluoro-2-(trifluoromethyl)benzamide?
The InChIKey is CTINYJVRMPOXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2F4N3O2/c21-10-1-5-16(14(7-10)19(31)29-17-6-2-11(22)9-27-17)28-18(30)13-4-3-12(23)8-15(13)20(24,25)26/h1-9H,(H,28,30)(H,27,29,31).
What are the key properties of N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-fluoro-2-(trifluoromethyl)benzamide?
N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-fluoro-2-(trifluoromethyl)benzamide has a molecular weight of 472.23 g/mol, XLogP of 6.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-fluoro-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 21075328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).