2-amino-N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride

C14H18Cl2FN3O3 — CID 120993763

IUPAC2-amino-N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NC1CCN(c2ccc(Cl)c(F)c2)C1=O.Cl
InChIInChI=1S/C14H17ClFN3O3.ClH/c1-22-7-11(17)13(20)18-12-4-5-19(14(12)21)8-2-3-9(15)10(16)6-8;/h2-3,6,11-12H,4-5,7,17H2,1H3,(H,18,20);1H
InChIKeyWIXRKIRYSDOTJR-UHFFFAOYSA-N
MW366.22 g/mol
LogP1.10
Rot. Bonds5

About 2-amino-N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride

2-amino-N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride (PubChem CID 120993763) has the molecular formula C14H18Cl2FN3O3 and a molecular weight of 366.22 g/mol. Its IUPAC name is 2-amino-N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride
PubChem CID120993763
Molecular FormulaC14H18Cl2FN3O3
Molecular Weight366.22 g/mol
Exact Mass365.07
IUPAC Name2-amino-N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NC1CCN(c2ccc(Cl)c(F)c2)C1=O.Cl
InChIInChI=1S/C14H17ClFN3O3.ClH/c1-22-7-11(17)13(20)18-12-4-5-19(14(12)21)8-2-3-9(15)10(16)6-8;/h2-3,6,11-12H,4-5,7,17H2,1H3,(H,18,20);1H
InChIKeyWIXRKIRYSDOTJR-UHFFFAOYSA-N
XLogP1.10
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride
CID 120991674
3-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-1-(2,2-difluoroethyl)-1-methylurea
CID 75436656
2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-3-methoxypropanamide;hydrochloride
CID 120990960
2-amino-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]pentanamide
CID 119332076
2-[2-[[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]sulfanylacetic acid
CID 120551490
N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide
CID 97329341
N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]thiadiazole-5-carboxamide
CID 97329654
2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide
CID 119341793
1-(4-chloro-3-fluorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 133462212
N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
CID 75395006
(2S)-2-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methylsulfanylbutanamide
CID 119341058
(3S)-1-(4-chloro-3-fluorophenyl)-3-[[(2R)-4-morpholin-4-yl-4-oxobutan-2-yl]amino]pyrrolidin-2-one
CID 97333013

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride (CID 120993763) is 2-amino-N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)NC1CCN(c2ccc(Cl)c(F)c2)C1=O.Cl.
What is the InChIKey of 2-amino-N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride?
The InChIKey is WIXRKIRYSDOTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3O3.ClH/c1-22-7-11(17)13(20)18-12-4-5-19(14(12)21)8-2-3-9(15)10(16)6-8;/h2-3,6,11-12H,4-5,7,17H2,1H3,(H,18,20);1H.
What are the key properties of 2-amino-N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride has a molecular weight of 366.22 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120993763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).