2-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide

C21H13Cl3F3N3O2 — CID 3631017

IUPAC2-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESO=C(NC(=O)C(c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H13Cl3F3N3O2/c22-13-3-1-11(2-4-13)17(18-16(24)9-12(10-28-18)21(25,26)27)19(31)30-20(32)29-15-7-5-14(23)6-8-15/h1-10,17H,(H2,29,30,31,32)
InChIKeyUSTVRHVOCRVXOS-UHFFFAOYSA-N
MW502.71 g/mol
LogP6.54
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide

2-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 3631017) has the molecular formula C21H13Cl3F3N3O2 and a molecular weight of 502.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID3631017
Molecular FormulaC21H13Cl3F3N3O2
Molecular Weight502.71 g/mol
Exact Mass501.00
IUPAC Name2-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESO=C(NC(=O)C(c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H13Cl3F3N3O2/c22-13-3-1-11(2-4-13)17(18-16(24)9-12(10-28-18)21(25,26)27)19(31)30-20(32)29-15-7-5-14(23)6-8-15/h1-10,17H,(H2,29,30,31,32)
InChIKeyUSTVRHVOCRVXOS-UHFFFAOYSA-N
XLogP6.54
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.71
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide (CID 3631017) is 2-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide is O=C(NC(=O)C(c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is USTVRHVOCRVXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl3F3N3O2/c22-13-3-1-11(2-4-13)17(18-16(24)9-12(10-28-18)21(25,26)27)19(31)30-20(32)29-15-7-5-14(23)6-8-15/h1-10,17H,(H2,29,30,31,32).
What are the key properties of 2-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide?
2-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 502.71 g/mol, XLogP of 6.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 3631017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).