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

C16H19ClF3NO — CID 802988

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H19ClF3NO/c17-14-8-7-12(10-13(14)16(18,19)20)21-15(22)9-6-11-4-2-1-3-5-11/h7-8,10-11H,1-6,9H2,(H,21,22)
InChIKeyCBHMGDGHOMWZLD-UHFFFAOYSA-N
MW333.78 g/mol
LogP5.66
Rot. Bonds4

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyclohexylpropanamide (PubChem CID 802988) has the molecular formula C16H19ClF3NO and a molecular weight of 333.78 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyclohexylpropanamide
PubChem CID802988
Molecular FormulaC16H19ClF3NO
Molecular Weight333.78 g/mol
Exact Mass333.11
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H19ClF3NO/c17-14-8-7-12(10-13(14)16(18,19)20)21-15(22)9-6-11-4-2-1-3-5-11/h7-8,10-11H,1-6,9H2,(H,21,22)
InChIKeyCBHMGDGHOMWZLD-UHFFFAOYSA-N
XLogP5.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.78
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyclohexylpropanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyclohexylpropanamide (CID 802988) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyclohexylpropanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyclohexylpropanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyclohexylpropanamide is O=C(CCC1CCCCC1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyclohexylpropanamide?
The InChIKey is CBHMGDGHOMWZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClF3NO/c17-14-8-7-12(10-13(14)16(18,19)20)21-15(22)9-6-11-4-2-1-3-5-11/h7-8,10-11H,1-6,9H2,(H,21,22).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyclohexylpropanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyclohexylpropanamide has a molecular weight of 333.78 g/mol, XLogP of 5.66, 4 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]-3-cyclohexylpropanamide is sourced from PubChem (CID 802988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).