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

C15H11Cl2F3N2O — CID 110208650

IUPAC2-(4-chlorophenyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H11Cl2F3N2O/c16-11-3-1-9(2-4-11)5-14(23)22-8-13-12(17)6-10(7-21-13)15(18,19)20/h1-4,6-7H,5,8H2,(H,22,23)
InChIKeyDHCSXAXXTAXDDP-UHFFFAOYSA-N
MW363.17 g/mol
LogP4.27
Rot. Bonds4

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

2-(4-chlorophenyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]acetamide (PubChem CID 110208650) has the molecular formula C15H11Cl2F3N2O and a molecular weight of 363.17 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]acetamide
PubChem CID110208650
Molecular FormulaC15H11Cl2F3N2O
Molecular Weight363.17 g/mol
Exact Mass362.02
IUPAC Name2-(4-chlorophenyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H11Cl2F3N2O/c16-11-3-1-9(2-4-11)5-14(23)22-8-13-12(17)6-10(7-21-13)15(18,19)20/h1-4,6-7H,5,8H2,(H,22,23)
InChIKeyDHCSXAXXTAXDDP-UHFFFAOYSA-N
XLogP4.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.17
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]urea
CID 2745367
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]propyl]acetamide
CID 3759280
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide
CID 1491777
2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide
CID 22027356
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-3-phenylurea
CID 2745366
2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylpyridine-3-carboxamide
CID 22027361
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-3-(3,5-dichlorophenyl)thiourea
CID 84820031
2-(4-chlorophenyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 16567590
2-chloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
CID 53405659
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
CID 171679288
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylacetamide
CID 1491758
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-4-carboxamide
CID 66989884

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]acetamide (CID 110208650) is 2-(4-chlorophenyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]acetamide is O=C(Cc1ccc(Cl)cc1)NCc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-(4-chlorophenyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]acetamide?
The InChIKey is DHCSXAXXTAXDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F3N2O/c16-11-3-1-9(2-4-11)5-14(23)22-8-13-12(17)6-10(7-21-13)15(18,19)20/h1-4,6-7H,5,8H2,(H,22,23).
What are the key properties of 2-(4-chlorophenyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]acetamide?
2-(4-chlorophenyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]acetamide has a molecular weight of 363.17 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 110208650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).