1-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-hydroxypyrrolidine-3-carboxamide

C14H15ClN4O3 — CID 154803387

IUPAC1-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-hydroxypyrrolidine-3-carboxamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CN1CCC(O)(C(N)=O)C1
InChIInChI=1S/C14H15ClN4O3/c15-10-2-1-9(6-16)11(5-10)18-12(20)7-19-4-3-14(22,8-19)13(17)21/h1-2,5,22H,3-4,7-8H2,(H2,17,21)(H,18,20)
InChIKeyDEPPSUZWUQHKQU-UHFFFAOYSA-N
MW322.75 g/mol
LogP0.07
Rot. Bonds4

About 1-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-hydroxypyrrolidine-3-carboxamide

1-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-hydroxypyrrolidine-3-carboxamide (PubChem CID 154803387) has the molecular formula C14H15ClN4O3 and a molecular weight of 322.75 g/mol. Its IUPAC name is 1-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-hydroxypyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-hydroxypyrrolidine-3-carboxamide
PubChem CID154803387
Molecular FormulaC14H15ClN4O3
Molecular Weight322.75 g/mol
Exact Mass322.08
IUPAC Name1-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-hydroxypyrrolidine-3-carboxamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CN1CCC(O)(C(N)=O)C1
InChIInChI=1S/C14H15ClN4O3/c15-10-2-1-9(6-16)11(5-10)18-12(20)7-19-4-3-14(22,8-19)13(17)21/h1-2,5,22H,3-4,7-8H2,(H2,17,21)(H,18,20)
InChIKeyDEPPSUZWUQHKQU-UHFFFAOYSA-N
XLogP0.07
TPSA119.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-cyanophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]acetamide
CID 112820040
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CID 110877770
N-(5-chloro-2-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 4782283
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(5-chloro-2-cyanophenyl)acetamide
CID 11940553
N-(5-chloro-2-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 3625247
2-(1-aminocyclohexyl)-N-(5-chloro-2-cyanophenyl)acetamide
CID 64684415
N-(2,5-dichlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)acetamide
CID 171701418
N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2697936
N-(5-chloro-2-cyanophenyl)-2-(2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-8-yl)acetamide
CID 4897544
1-(aminomethyl)-N-(5-chloro-2-cyanophenyl)cyclopentane-1-carboxamide
CID 115434808
N-(4-chloro-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728446
N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidin-1-yl]acetamide
CID 124840763

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-hydroxypyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-hydroxypyrrolidine-3-carboxamide (CID 154803387) is 1-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-hydroxypyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-hydroxypyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-hydroxypyrrolidine-3-carboxamide is N#Cc1ccc(Cl)cc1NC(=O)CN1CCC(O)(C(N)=O)C1.
What is the InChIKey of 1-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-hydroxypyrrolidine-3-carboxamide?
The InChIKey is DEPPSUZWUQHKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O3/c15-10-2-1-9(6-16)11(5-10)18-12(20)7-19-4-3-14(22,8-19)13(17)21/h1-2,5,22H,3-4,7-8H2,(H2,17,21)(H,18,20).
What are the key properties of 1-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-hydroxypyrrolidine-3-carboxamide?
1-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-hydroxypyrrolidine-3-carboxamide has a molecular weight of 322.75 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-hydroxypyrrolidine-3-carboxamide is sourced from PubChem (CID 154803387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).