N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide

C11H9ClF3NO — CID 3121382

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C11H9ClF3NO/c12-9-4-3-7(5-8(9)11(13,14)15)16-10(17)6-1-2-6/h3-6H,1-2H2,(H,16,17)
InChIKeyFCQNZMCMQAARHD-UHFFFAOYSA-N
MW263.65 g/mol
LogP3.71
Rot. Bonds2

About N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide (PubChem CID 3121382) has the molecular formula C11H9ClF3NO and a molecular weight of 263.65 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
PubChem CID3121382
Molecular FormulaC11H9ClF3NO
Molecular Weight263.65 g/mol
Exact Mass263.03
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C11H9ClF3NO/c12-9-4-3-7(5-8(9)11(13,14)15)16-10(17)6-1-2-6/h3-6H,1-2H2,(H,16,17)
InChIKeyFCQNZMCMQAARHD-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.65
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]thiolane-3-carboxamide
CID 110863729
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 47081962
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31816573
N-[4-iodo-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 163584041
N-(4-chloro-3-fluorophenyl)cyclopropanecarboxamide
CID 60776243
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 126184126
1-[(2-chlorophenyl)methylsulfonyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 92642504
(3S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 40977144
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 30148120
2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-cyclopropylacetamide
CID 84515951
(2S,5R)-5-(aminomethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 120783138

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide (CID 3121382) is N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CC1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide?
The InChIKey is FCQNZMCMQAARHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3NO/c12-9-4-3-7(5-8(9)11(13,14)15)16-10(17)6-1-2-6/h3-6H,1-2H2,(H,16,17).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide has a molecular weight of 263.65 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 3121382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).