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

C10H9ClF3NO — CID 886037

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H9ClF3NO/c1-2-9(16)15-6-3-4-8(11)7(5-6)10(12,13)14/h3-5H,2H2,1H3,(H,15,16)
InChIKeyWAUDDQSSSLMZJQ-UHFFFAOYSA-N
MW251.63 g/mol
LogP3.71
Rot. Bonds2

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

N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide (PubChem CID 886037) has the molecular formula C10H9ClF3NO and a molecular weight of 251.63 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
PubChem CID886037
Molecular FormulaC10H9ClF3NO
Molecular Weight251.63 g/mol
Exact Mass251.03
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H9ClF3NO/c1-2-9(16)15-6-3-4-8(11)7(5-6)10(12,13)14/h3-5H,2H2,1H3,(H,15,16)
InChIKeyWAUDDQSSSLMZJQ-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.63
LogP ≤ 53.71
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]propanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide (CID 886037) is N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide is CCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is WAUDDQSSSLMZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO/c1-2-9(16)15-6-3-4-8(11)7(5-6)10(12,13)14/h3-5H,2H2,1H3,(H,15,16).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 251.63 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]propanamide is sourced from PubChem (CID 886037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).