N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide

C10H9ClF3NO2 — CID 82134049

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
SMILESCC(O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H9ClF3NO2/c1-5(16)9(17)15-6-2-3-8(11)7(4-6)10(12,13)14/h2-5,16H,1H3,(H,15,17)
InChIKeyHJDPPGZWVYZPQP-UHFFFAOYSA-N
MW267.63 g/mol
LogP2.68
Rot. Bonds2

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide (PubChem CID 82134049) has the molecular formula C10H9ClF3NO2 and a molecular weight of 267.63 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
PubChem CID82134049
Molecular FormulaC10H9ClF3NO2
Molecular Weight267.63 g/mol
Exact Mass267.03
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
SMILESCC(O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H9ClF3NO2/c1-5(16)9(17)15-6-2-3-8(11)7(4-6)10(12,13)14/h2-5,16H,1H3,(H,15,17)
InChIKeyHJDPPGZWVYZPQP-UHFFFAOYSA-N
XLogP2.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.63
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119263846
2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 43245822
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79017846
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyimino-2-methylpropanamide
CID 76926011
propan-2-yl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate
CID 51062424
[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl] propanoate
CID 18270404
[1-[4-chloro-3-(trifluoromethyl)anilino]-3,3-dimethyl-1-oxobutan-2-yl] carbamate
CID 175343547
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 78811709
methyl 2-[(2S)-1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl]sulfanylacetate
CID 29334413
2-chloro-5-(2-hydroxypropanoylamino)benzoic acid
CID 83768315
(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(4-fluorophenyl)propanamide
CID 7397770
2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]hexanamide
CID 60852209

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide (CID 82134049) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide is CC(O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide?
The InChIKey is HJDPPGZWVYZPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO2/c1-5(16)9(17)15-6-2-3-8(11)7(4-6)10(12,13)14/h2-5,16H,1H3,(H,15,17).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide has a molecular weight of 267.63 g/mol, XLogP of 2.68, 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-(trifluoromethyl)phenyl]-2-hydroxypropanamide is sourced from PubChem (CID 82134049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).