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

C15H19Cl2N3O2 — CID 119418007

IUPAC2,3-dichloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCCNCC1
InChIInChI=1S/C15H19Cl2N3O2/c1-10(15(22)20-8-3-6-18-7-9-20)19-14(21)11-4-2-5-12(16)13(11)17/h2,4-5,10,18H,3,6-9H2,1H3,(H,19,21)
InChIKeyPHEFTHDAGFPIOW-UHFFFAOYSA-N
MW344.24 g/mol
LogP1.93
Rot. Bonds3

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

2,3-dichloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide (PubChem CID 119418007) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide
PubChem CID119418007
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC Name2,3-dichloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCCNCC1
InChIInChI=1S/C15H19Cl2N3O2/c1-10(15(22)20-8-3-6-18-7-9-20)19-14(21)11-4-2-5-12(16)13(11)17/h2,4-5,10,18H,3,6-9H2,1H3,(H,19,21)
InChIKeyPHEFTHDAGFPIOW-UHFFFAOYSA-N
XLogP1.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide;hydrochloride
CID 119418273
2-chloro-N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 119415950
2,3-dichloro-N-[1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55956189
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
CID 119412842
2,3-dichloro-N-[1-[4-(1-cyano-2-methylpropyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 56586104
2,3-dichloro-N-[1-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55838422
2,3-dihydroxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 114344654
(2R)-1-[2-[(2,3-dichlorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119372200
2-chloro-N-[1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 110878743
N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide;hydrochloride
CID 119415508
2-fluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 61041045
N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride
CID 119469184

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide (CID 119418007) is 2,3-dichloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCCNCC1.
What is the InChIKey of 2,3-dichloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide?
The InChIKey is PHEFTHDAGFPIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O2/c1-10(15(22)20-8-3-6-18-7-9-20)19-14(21)11-4-2-5-12(16)13(11)17/h2,4-5,10,18H,3,6-9H2,1H3,(H,19,21).
What are the key properties of 2,3-dichloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide?
2,3-dichloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide has a molecular weight of 344.24 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 119418007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).