trans-(1R,3R)-2,2-dichloro-3-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C11H8Cl2F3NO — CID 162607705

IUPACtrans-(1R,3R)-2,2-dichloro-3-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESNC(=O)[C@H]1[C@H](c2cccc(C(F)(F)F)c2)C1(Cl)Cl
InChIInChI=1S/C11H8Cl2F3NO/c12-10(13)7(8(10)9(17)18)5-2-1-3-6(4-5)11(14,15)16/h1-4,7-8H,(H2,17,18)/t7-,8+/m0/s1
InChIKeyVRAZWQMKDSSPMX-JGVFFNPUSA-N
MW298.09 g/mol
LogP3.08
Rot. Bonds2

About trans-(1R,3R)-2,2-dichloro-3-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

trans-(1R,3R)-2,2-dichloro-3-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 162607705) has the molecular formula C11H8Cl2F3NO and a molecular weight of 298.09 g/mol. Its IUPAC name is trans-(1R,3R)-2,2-dichloro-3-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-2,2-dichloro-3-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID162607705
Molecular FormulaC11H8Cl2F3NO
Molecular Weight298.09 g/mol
Exact Mass296.99
IUPAC Nametrans-(1R,3R)-2,2-dichloro-3-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESNC(=O)[C@H]1[C@H](c2cccc(C(F)(F)F)c2)C1(Cl)Cl
InChIInChI=1S/C11H8Cl2F3NO/c12-10(13)7(8(10)9(17)18)5-2-1-3-6(4-5)11(14,15)16/h1-4,7-8H,(H2,17,18)/t7-,8+/m0/s1
InChIKeyVRAZWQMKDSSPMX-JGVFFNPUSA-N
XLogP3.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.09
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,2-dichloro-3-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 122628118
2,2-dichloro-N-[4-chloro-3-[2-(3,3-difluorocyclobutyl)acetyl]phenyl]-3-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 159241586
trans-(1R,3R)-N-[3-[2-(3-amino-2,4-difluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 149164691
1-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 175894440
1-cyclopropyl-2-oxo-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 135346548
5-hydroxy-3-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 175695023
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide
CID 116996899
[(2S,3S)-3-[3-(trifluoromethyl)phenyl]oxiran-2-yl]methanol
CID 22840453
4-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 114486929
[3-(trifluoromethyl)phenyl] carbamate
CID 56614861
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-[2,4-difluoro-3-[[2-(trifluoromethylsulfanyl)acetyl]amino]phenyl]benzamide
CID 153215949

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-2,2-dichloro-3-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-2,2-dichloro-3-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 162607705) is trans-(1R,3R)-2,2-dichloro-3-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-2,2-dichloro-3-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-2,2-dichloro-3-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is NC(=O)[C@H]1[C@H](c2cccc(C(F)(F)F)c2)C1(Cl)Cl.
What is the InChIKey of trans-(1R,3R)-2,2-dichloro-3-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is VRAZWQMKDSSPMX-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H8Cl2F3NO/c12-10(13)7(8(10)9(17)18)5-2-1-3-6(4-5)11(14,15)16/h1-4,7-8H,(H2,17,18)/t7-,8+/m0/s1.
What are the key properties of trans-(1R,3R)-2,2-dichloro-3-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
trans-(1R,3R)-2,2-dichloro-3-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 298.09 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-2,2-dichloro-3-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 162607705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).