N-(4-chloro-3-hydroxyphenyl)-3,3,3-trifluoropropanamide

C9H7ClF3NO2 — CID 64786329

IUPACN-(4-chloro-3-hydroxyphenyl)-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)Nc1ccc(Cl)c(O)c1
InChIInChI=1S/C9H7ClF3NO2/c10-6-2-1-5(3-7(6)15)14-8(16)4-9(11,12)13/h1-3,15H,4H2,(H,14,16)
InChIKeyCTCPLVMSNRNFMX-UHFFFAOYSA-N
MW253.61 g/mol
LogP2.94
Rot. Bonds2

About N-(4-chloro-3-hydroxyphenyl)-3,3,3-trifluoropropanamide

N-(4-chloro-3-hydroxyphenyl)-3,3,3-trifluoropropanamide (PubChem CID 64786329) has the molecular formula C9H7ClF3NO2 and a molecular weight of 253.61 g/mol. Its IUPAC name is N-(4-chloro-3-hydroxyphenyl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(4-chloro-3-hydroxyphenyl)-3,3,3-trifluoropropanamide
PubChem CID64786329
Molecular FormulaC9H7ClF3NO2
Molecular Weight253.61 g/mol
Exact Mass253.01
IUPAC NameN-(4-chloro-3-hydroxyphenyl)-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)Nc1ccc(Cl)c(O)c1
InChIInChI=1S/C9H7ClF3NO2/c10-6-2-1-5(3-7(6)15)14-8(16)4-9(11,12)13/h1-3,15H,4H2,(H,14,16)
InChIKeyCTCPLVMSNRNFMX-UHFFFAOYSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.61
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 113463001
2-hydroxy-5-(3,3,3-trifluoropropanoylamino)benzoic acid
CID 16777039
N-(4-chloro-3-hydroxyphenyl)-2-(4-hydroxyphenyl)acetamide
CID 64788064
2-chloro-5-(2,2,2-trifluoroethylamino)phenol
CID 22034811
N-(4-chloro-3-hydroxyphenyl)-2-(4-methylphenyl)acetamide
CID 64787693
N-(4-chloro-3-hydroxyphenyl)-2-ethylbutanamide
CID 64788855
N-(4-chloro-3-hydroxyphenyl)-2-cyclopentylacetamide
CID 64788662
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107
3,3,3-trifluoro-N-(3-methyl-4-sulfamoylphenyl)propanamide
CID 43246591
3,3,3-trifluoro-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 47155694
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoropropanamide
CID 75520574
N-(4-chloro-3-hydroxyphenyl)prop-2-ynamide
CID 64786729

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-hydroxyphenyl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(4-chloro-3-hydroxyphenyl)-3,3,3-trifluoropropanamide (CID 64786329) is N-(4-chloro-3-hydroxyphenyl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(4-chloro-3-hydroxyphenyl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(4-chloro-3-hydroxyphenyl)-3,3,3-trifluoropropanamide is O=C(CC(F)(F)F)Nc1ccc(Cl)c(O)c1.
What is the InChIKey of N-(4-chloro-3-hydroxyphenyl)-3,3,3-trifluoropropanamide?
The InChIKey is CTCPLVMSNRNFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO2/c10-6-2-1-5(3-7(6)15)14-8(16)4-9(11,12)13/h1-3,15H,4H2,(H,14,16).
What are the key properties of N-(4-chloro-3-hydroxyphenyl)-3,3,3-trifluoropropanamide?
N-(4-chloro-3-hydroxyphenyl)-3,3,3-trifluoropropanamide has a molecular weight of 253.61 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-hydroxyphenyl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 64786329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).