N-(2-chloro-4-fluorophenyl)-2-[3-(triazol-1-yl)pyrrolidin-1-yl]acetamide

C14H15ClFN5O — CID 154844041

IUPACN-(2-chloro-4-fluorophenyl)-2-[3-(triazol-1-yl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC(n2ccnn2)C1)Nc1ccc(F)cc1Cl
InChIInChI=1S/C14H15ClFN5O/c15-12-7-10(16)1-2-13(12)18-14(22)9-20-5-3-11(8-20)21-6-4-17-19-21/h1-2,4,6-7,11H,3,5,8-9H2,(H,18,22)
InChIKeyFJVXFAIFGOMODR-UHFFFAOYSA-N
MW323.76 g/mol
LogP1.96
Rot. Bonds4

About N-(2-chloro-4-fluorophenyl)-2-[3-(triazol-1-yl)pyrrolidin-1-yl]acetamide

N-(2-chloro-4-fluorophenyl)-2-[3-(triazol-1-yl)pyrrolidin-1-yl]acetamide (PubChem CID 154844041) has the molecular formula C14H15ClFN5O and a molecular weight of 323.76 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[3-(triazol-1-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[3-(triazol-1-yl)pyrrolidin-1-yl]acetamide
PubChem CID154844041
Molecular FormulaC14H15ClFN5O
Molecular Weight323.76 g/mol
Exact Mass323.09
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[3-(triazol-1-yl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC(n2ccnn2)C1)Nc1ccc(F)cc1Cl
InChIInChI=1S/C14H15ClFN5O/c15-12-7-10(16)1-2-13(12)18-14(22)9-20-5-3-11(8-20)21-6-4-17-19-21/h1-2,4,6-7,11H,3,5,8-9H2,(H,18,22)
InChIKeyFJVXFAIFGOMODR-UHFFFAOYSA-N
XLogP1.96
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.76
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681562
N-(2-chloro-4-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545627
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-chloro-4-fluorophenyl)acetamide
CID 60972510
2-[4-(triazol-1-yl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 42609562
N-(2-chloro-4-fluorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 8962997
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2,4-difluorophenyl)acetamide
CID 11940559
1-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784677
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 120758870
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide;hydrochloride
CID 120758869
N-(4-amino-2-chlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 16791482
N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62917861
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 46551652

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[3-(triazol-1-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[3-(triazol-1-yl)pyrrolidin-1-yl]acetamide (CID 154844041) is N-(2-chloro-4-fluorophenyl)-2-[3-(triazol-1-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[3-(triazol-1-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[3-(triazol-1-yl)pyrrolidin-1-yl]acetamide is O=C(CN1CCC(n2ccnn2)C1)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[3-(triazol-1-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is FJVXFAIFGOMODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN5O/c15-12-7-10(16)1-2-13(12)18-14(22)9-20-5-3-11(8-20)21-6-4-17-19-21/h1-2,4,6-7,11H,3,5,8-9H2,(H,18,22).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[3-(triazol-1-yl)pyrrolidin-1-yl]acetamide?
N-(2-chloro-4-fluorophenyl)-2-[3-(triazol-1-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 323.76 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-[3-(triazol-1-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 154844041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).