4-amino-5-chloro-2-methoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide

C13H16ClN3O3 — CID 119782044

IUPAC4-amino-5-chloro-2-methoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC1CCN(C)C1=O
InChIInChI=1S/C13H16ClN3O3/c1-17-4-3-10(13(17)19)16-12(18)7-5-8(14)9(15)6-11(7)20-2/h5-6,10H,3-4,15H2,1-2H3,(H,16,18)
InChIKeyFNBKMXLXHTVSSS-UHFFFAOYSA-N
MW297.74 g/mol
LogP0.89
Rot. Bonds3

About 4-amino-5-chloro-2-methoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide

4-amino-5-chloro-2-methoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide (PubChem CID 119782044) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
PubChem CID119782044
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name4-amino-5-chloro-2-methoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC1CCN(C)C1=O
InChIInChI=1S/C13H16ClN3O3/c1-17-4-3-10(13(17)19)16-12(18)7-5-8(14)9(15)6-11(7)20-2/h5-6,10H,3-4,15H2,1-2H3,(H,16,18)
InChIKeyFNBKMXLXHTVSSS-UHFFFAOYSA-N
XLogP0.89
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-chloro-2-methoxy-N-(2-oxo-1-phenylpiperidin-3-yl)benzamide;hydrochloride
CID 119787621
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CID 19766291
4-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 113266759
4-amino-5-chloro-2-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
CID 119892106
4-amino-5-chloro-N-cyclohexyl-2-methoxybenzamide;hydrochloride
CID 119670043
2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]butanoic acid
CID 22080716
4-amino-5-chloro-2-methoxy-N-[(2R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide;(E)-but-2-enedioic acid
CID 162316926
N-[(2S,6R,9aR)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-4-amino-5-chloro-2-methoxybenzamide
CID 505951
4-amino-N-(1-benzhydrylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;hydrochloride
CID 3044767
4-amino-5-chloro-2-methoxy-N-(2,3,5,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-2-yl)benzamide
CID 13121444
2-amino-4-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 106249453
4-amino-5-chloro-2-methoxy-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 119701825

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide (CID 119782044) is 4-amino-5-chloro-2-methoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide is COc1cc(N)c(Cl)cc1C(=O)NC1CCN(C)C1=O.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
The InChIKey is FNBKMXLXHTVSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c1-17-4-3-10(13(17)19)16-12(18)7-5-8(14)9(15)6-11(7)20-2/h5-6,10H,3-4,15H2,1-2H3,(H,16,18).
What are the key properties of 4-amino-5-chloro-2-methoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
4-amino-5-chloro-2-methoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide has a molecular weight of 297.74 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide is sourced from PubChem (CID 119782044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).