N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide

C13H14ClF3N2O3 — CID 71980701

IUPACN-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCOc1c(Cl)cccc1NC(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C13H14ClF3N2O3/c1-22-10-8(14)3-2-4-9(10)18-11(20)19-6-5-12(21,7-19)13(15,16)17/h2-4,21H,5-7H2,1H3,(H,18,20)
InChIKeySLTGBGRWMMQUPY-UHFFFAOYSA-N
MW338.71 g/mol
LogP2.88
Rot. Bonds2

About N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide

N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide (PubChem CID 71980701) has the molecular formula C13H14ClF3N2O3 and a molecular weight of 338.71 g/mol. Its IUPAC name is N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide
PubChem CID71980701
Molecular FormulaC13H14ClF3N2O3
Molecular Weight338.71 g/mol
Exact Mass338.06
IUPAC NameN-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCOc1c(Cl)cccc1NC(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C13H14ClF3N2O3/c1-22-10-8(14)3-2-4-9(10)18-11(20)19-6-5-12(21,7-19)13(15,16)17/h2-4,21H,5-7H2,1H3,(H,18,20)
InChIKeySLTGBGRWMMQUPY-UHFFFAOYSA-N
XLogP2.88
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.71
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 95784287
N-(3,5-difluoro-4-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 71980704
1-[(3-chloro-2-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077688
N-(3-chloro-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86837947
1-[(3-chloro-2-propan-2-yloxyphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122085016
N-(3-chloro-2-methoxyphenyl)-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86870043
1-(3-chloro-2-methoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103686
(4aS,8aS)-N-(3-chloro-2-ethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxamide
CID 74240403
N-(3-chloro-2-methylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 17388082
N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiomorpholine-4-carboxamide
CID 56820485
N-(2-chlorophenyl)-6-azaspiro[2.5]octane-6-carboxamide
CID 97374347
N-(2-chlorophenyl)-4-hydroxy-4-methylazepane-1-carboxamide
CID 107406894

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide (CID 71980701) is N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide is COc1c(Cl)cccc1NC(=O)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The InChIKey is SLTGBGRWMMQUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O3/c1-22-10-8(14)3-2-4-9(10)18-11(20)19-6-5-12(21,7-19)13(15,16)17/h2-4,21H,5-7H2,1H3,(H,18,20).
What are the key properties of N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide has a molecular weight of 338.71 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71980701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).