N-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide

C12H12ClF3N2O2 — CID 43120795

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CC(O)CN1
InChIInChI=1S/C12H12ClF3N2O2/c13-8-2-1-6(12(14,15)16)3-9(8)18-11(20)10-4-7(19)5-17-10/h1-3,7,10,17,19H,4-5H2,(H,18,20)
InChIKeyGWNUITMVDQKBBL-UHFFFAOYSA-N
MW308.69 g/mol
LogP2.02
Rot. Bonds2

About N-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 43120795) has the molecular formula C12H12ClF3N2O2 and a molecular weight of 308.69 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID43120795
Molecular FormulaC12H12ClF3N2O2
Molecular Weight308.69 g/mol
Exact Mass308.05
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CC(O)CN1
InChIInChI=1S/C12H12ClF3N2O2/c13-8-2-1-6(12(14,15)16)3-9(8)18-11(20)10-4-7(19)5-17-10/h1-3,7,10,17,19H,4-5H2,(H,18,20)
InChIKeyGWNUITMVDQKBBL-UHFFFAOYSA-N
XLogP2.02
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.69
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43150554
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 106738599
propan-2-yl 4-chloro-3-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]benzoate;hydrochloride
CID 154890569
3-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 66033051
2-(azepane-1-carbonyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 109140738
N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43703870
cis-(1S,2R)-2-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 819921
(1R,2S,3R,4S)-3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11871192
N-(2,4-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120810
N-(2,5-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120806
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
CID 2966122
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(3S)-pyrrolidin-3-yl]urea;hydrochloride
CID 165430475

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide (CID 43120795) is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CC(O)CN1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is GWNUITMVDQKBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N2O2/c13-8-2-1-6(12(14,15)16)3-9(8)18-11(20)10-4-7(19)5-17-10/h1-3,7,10,17,19H,4-5H2,(H,18,20).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 308.69 g/mol, XLogP of 2.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 43120795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).