4-chloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide;hydrochloride

C15H21Cl2N3O2 — CID 119418273

IUPAC4-chloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide;hydrochloride
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCCNCC1.Cl
InChIInChI=1S/C15H20ClN3O2.ClH/c1-11(15(21)19-9-2-7-17-8-10-19)18-14(20)12-3-5-13(16)6-4-12;/h3-6,11,17H,2,7-10H2,1H3,(H,18,20);1H
InChIKeyGWYMUGJXNSFHDT-UHFFFAOYSA-N
MW346.26 g/mol
LogP1.70
Rot. Bonds3

About 4-chloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide;hydrochloride

4-chloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide;hydrochloride (PubChem CID 119418273) has the molecular formula C15H21Cl2N3O2 and a molecular weight of 346.26 g/mol. Its IUPAC name is 4-chloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide;hydrochloride
PubChem CID119418273
Molecular FormulaC15H21Cl2N3O2
Molecular Weight346.26 g/mol
Exact Mass345.10
IUPAC Name4-chloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide;hydrochloride
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCCNCC1.Cl
InChIInChI=1S/C15H20ClN3O2.ClH/c1-11(15(21)19-9-2-7-17-8-10-19)18-14(20)12-3-5-13(16)6-4-12;/h3-6,11,17H,2,7-10H2,1H3,(H,18,20);1H
InChIKeyGWYMUGJXNSFHDT-UHFFFAOYSA-N
XLogP1.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119414074
2,3-dichloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide
CID 119418007
4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzamide
CID 119580374
4-chloro-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride
CID 119493230
4-chloro-N-[1-[4-(2-methylpropyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 112765552
1-[2-[(4-chlorobenzoyl)amino]propanoyl]piperidine-4-carboxylic acid
CID 119349897
4-tert-butyl-N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 119418511
N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide;hydrochloride
CID 119416007
4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 112760576
2-chloro-N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 119415950
4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 51147959
3-chloro-4-iodo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 103735178

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide;hydrochloride?
The IUPAC name of 4-chloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide;hydrochloride (CID 119418273) is 4-chloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide;hydrochloride?
The canonical SMILES for 4-chloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide;hydrochloride is CC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCCNCC1.Cl.
What is the InChIKey of 4-chloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide;hydrochloride?
The InChIKey is GWYMUGJXNSFHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2.ClH/c1-11(15(21)19-9-2-7-17-8-10-19)18-14(20)12-3-5-13(16)6-4-12;/h3-6,11,17H,2,7-10H2,1H3,(H,18,20);1H.
What are the key properties of 4-chloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide;hydrochloride?
4-chloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide;hydrochloride has a molecular weight of 346.26 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 119418273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).