2,3,5-trichloro-6-hydroxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide

C19H17Cl3N2O3 — CID 112821181

IUPAC2,3,5-trichloro-6-hydroxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1CN1CCCC1=O)c1c(O)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C19H17Cl3N2O3/c20-13-8-14(21)18(26)16(17(13)22)19(27)23-9-11-4-1-2-5-12(11)10-24-7-3-6-15(24)25/h1-2,4-5,8,26H,3,6-7,9-10H2,(H,23,27)
InChIKeyIMTXGVNSDZHODF-UHFFFAOYSA-N
MW427.72 g/mol
LogP4.40
Rot. Bonds5

About 2,3,5-trichloro-6-hydroxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide

2,3,5-trichloro-6-hydroxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide (PubChem CID 112821181) has the molecular formula C19H17Cl3N2O3 and a molecular weight of 427.72 g/mol. Its IUPAC name is 2,3,5-trichloro-6-hydroxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,3,5-trichloro-6-hydroxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
PubChem CID112821181
Molecular FormulaC19H17Cl3N2O3
Molecular Weight427.72 g/mol
Exact Mass426.03
IUPAC Name2,3,5-trichloro-6-hydroxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1CN1CCCC1=O)c1c(O)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C19H17Cl3N2O3/c20-13-8-14(21)18(26)16(17(13)22)19(27)23-9-11-4-1-2-5-12(11)10-24-7-3-6-15(24)25/h1-2,4-5,8,26H,3,6-7,9-10H2,(H,23,27)
InChIKeyIMTXGVNSDZHODF-UHFFFAOYSA-N
XLogP4.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.72
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4,5-dimethoxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46399730
2,5-dichloro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzamide
CID 47020894
2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 113314919
2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974895
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-thiophen-2-ylacetamide
CID 95942009
1-benzyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 46765739
1-(3-chlorophenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 39410534
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55715224
1,2-dimethyl-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 110914901
1-[(2-ethylphenyl)methyl]-2-methyl-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111635783
2-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide
CID 119285797
3-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide;hydrochloride
CID 119716995

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-6-hydroxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide?
The IUPAC name of 2,3,5-trichloro-6-hydroxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide (CID 112821181) is 2,3,5-trichloro-6-hydroxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 2,3,5-trichloro-6-hydroxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 2,3,5-trichloro-6-hydroxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide is O=C(NCc1ccccc1CN1CCCC1=O)c1c(O)c(Cl)cc(Cl)c1Cl.
What is the InChIKey of 2,3,5-trichloro-6-hydroxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide?
The InChIKey is IMTXGVNSDZHODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl3N2O3/c20-13-8-14(21)18(26)16(17(13)22)19(27)23-9-11-4-1-2-5-12(11)10-24-7-3-6-15(24)25/h1-2,4-5,8,26H,3,6-7,9-10H2,(H,23,27).
What are the key properties of 2,3,5-trichloro-6-hydroxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide?
2,3,5-trichloro-6-hydroxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide has a molecular weight of 427.72 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-6-hydroxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 112821181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).