1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide

C18H15ClF3N3O2 — CID 109137304

IUPAC1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(NCc1ccncc1)C1CC1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C18H15ClF3N3O2/c19-15-2-1-11(7-14(15)18(20,21)22)25-17(27)13-8-12(13)16(26)24-9-10-3-5-23-6-4-10/h1-7,12-13H,8-9H2,(H,24,26)(H,25,27)
InChIKeyYXFHZPZAVFVSDJ-UHFFFAOYSA-N
MW397.78 g/mol
LogP3.64
Rot. Bonds5

About 1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide

1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109137304) has the molecular formula C18H15ClF3N3O2 and a molecular weight of 397.78 g/mol. Its IUPAC name is 1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109137304
Molecular FormulaC18H15ClF3N3O2
Molecular Weight397.78 g/mol
Exact Mass397.08
IUPAC Name1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(NCc1ccncc1)C1CC1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C18H15ClF3N3O2/c19-15-2-1-11(7-14(15)18(20,21)22)25-17(27)13-8-12(13)16(26)24-9-10-3-5-23-6-4-10/h1-7,12-13H,8-9H2,(H,24,26)(H,25,27)
InChIKeyYXFHZPZAVFVSDJ-UHFFFAOYSA-N
XLogP3.64
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.78
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-chloro-4-fluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137252
1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109134945
1-N-(4-fluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137244
2-N-butyl-1-N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109131383
1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137253
cis-(1S,2R)-2-(pyridin-4-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 676939
1-N-(2,6-difluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137322
N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 3121382
N-benzyl-N'-[4-chloro-3-(trifluoromethyl)phenyl]propanediamide
CID 108945335
2-N-(pyridin-4-ylmethyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137238
2-N-benzyl-1-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109135080
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985659

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide (CID 109137304) is 1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide is O=C(NCc1ccncc1)C1CC1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is YXFHZPZAVFVSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N3O2/c19-15-2-1-11(7-14(15)18(20,21)22)25-17(27)13-8-12(13)16(26)24-9-10-3-5-23-6-4-10/h1-7,12-13H,8-9H2,(H,24,26)(H,25,27).
What are the key properties of 1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide?
1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 397.78 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109137304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).