2,3-dichloro-N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-1-oxopropan-2-yl]benzamide

C15H19Cl2N3O3 — CID 120947349

IUPAC2,3-dichloro-N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)NCC1CNCC1O
InChIInChI=1S/C15H19Cl2N3O3/c1-8(14(22)19-6-9-5-18-7-12(9)21)20-15(23)10-3-2-4-11(16)13(10)17/h2-4,8-9,12,18,21H,5-7H2,1H3,(H,19,22)(H,20,23)
InChIKeyWYYAUZRLHGDDHF-UHFFFAOYSA-N
MW360.24 g/mol
LogP0.81
Rot. Bonds5

About 2,3-dichloro-N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-1-oxopropan-2-yl]benzamide

2,3-dichloro-N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-1-oxopropan-2-yl]benzamide (PubChem CID 120947349) has the molecular formula C15H19Cl2N3O3 and a molecular weight of 360.24 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-1-oxopropan-2-yl]benzamide
PubChem CID120947349
Molecular FormulaC15H19Cl2N3O3
Molecular Weight360.24 g/mol
Exact Mass359.08
IUPAC Name2,3-dichloro-N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)NCC1CNCC1O
InChIInChI=1S/C15H19Cl2N3O3/c1-8(14(22)19-6-9-5-18-7-12(9)21)20-15(23)10-3-2-4-11(16)13(10)17/h2-4,8-9,12,18,21H,5-7H2,1H3,(H,19,22)(H,20,23)
InChIKeyWYYAUZRLHGDDHF-UHFFFAOYSA-N
XLogP0.81
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-1-oxopropan-2-yl]benzamide
CID 120948849
2-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120944491
2-(2,6-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120944560
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(phenylcarbamoylamino)propanamide
CID 120945132
2,3-dichloro-N-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide
CID 55739288
2,3-dichloro-N-[(2S)-1-[[1-(dimethylamino)cycloheptyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 51953244
N-[(2S)-1-[(4-hydroxypyrrolidin-3-yl)methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120943537
N-[1-[[2-(aminomethyl)cyclohexyl]amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
CID 119611965
2,3-dichloro-N-[1-[3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]benzamide
CID 55852819
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxypropanamide
CID 120948053
2,3-dichloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxopropan-2-yl]benzamide
CID 119553991
N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
CID 119588241

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-1-oxopropan-2-yl]benzamide (CID 120947349) is 2,3-dichloro-N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1cccc(Cl)c1Cl)C(=O)NCC1CNCC1O.
What is the InChIKey of 2,3-dichloro-N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-1-oxopropan-2-yl]benzamide?
The InChIKey is WYYAUZRLHGDDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O3/c1-8(14(22)19-6-9-5-18-7-12(9)21)20-15(23)10-3-2-4-11(16)13(10)17/h2-4,8-9,12,18,21H,5-7H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 2,3-dichloro-N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-1-oxopropan-2-yl]benzamide?
2,3-dichloro-N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-1-oxopropan-2-yl]benzamide has a molecular weight of 360.24 g/mol, XLogP of 0.81, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 120947349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).