4-chloro-N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride

C18H27Cl2N3O2 — CID 119414074

IUPAC4-chloro-N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
SMILESCCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCCNCC1.Cl
InChIInChI=1S/C18H26ClN3O2.ClH/c1-3-13(2)16(18(24)22-11-4-9-20-10-12-22)21-17(23)14-5-7-15(19)8-6-14;/h5-8,13,16,20H,3-4,9-12H2,1-2H3,(H,21,23);1H
InChIKeyRBEISMHOVJSAJO-UHFFFAOYSA-N
MW388.34 g/mol
LogP2.73
Rot. Bonds5

About 4-chloro-N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride

4-chloro-N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride (PubChem CID 119414074) has the molecular formula C18H27Cl2N3O2 and a molecular weight of 388.34 g/mol. Its IUPAC name is 4-chloro-N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
PubChem CID119414074
Molecular FormulaC18H27Cl2N3O2
Molecular Weight388.34 g/mol
Exact Mass387.15
IUPAC Name4-chloro-N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
SMILESCCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCCNCC1.Cl
InChIInChI=1S/C18H26ClN3O2.ClH/c1-3-13(2)16(18(24)22-11-4-9-20-10-12-22)21-17(23)14-5-7-15(19)8-6-14;/h5-8,13,16,20H,3-4,9-12H2,1-2H3,(H,21,23);1H
InChIKeyRBEISMHOVJSAJO-UHFFFAOYSA-N
XLogP2.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide;hydrochloride
CID 119418273
4-chloro-N-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxopentan-2-yl]benzamide
CID 112760065
4-chloro-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119559694
4-chloro-N-[3-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119487477
N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 119372812
4-chloro-N-[3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119542592
4-chloro-N-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methyl-1-oxopentan-2-yl]benzamide
CID 119634860
N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide;hydrochloride
CID 119416007
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide;hydrochloride
CID 119409193
4-chloro-N-[3-methyl-1-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide
CID 60529436
4-tert-butyl-N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 119418511
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 2363261

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride?
The IUPAC name of 4-chloro-N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride (CID 119414074) is 4-chloro-N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride?
The canonical SMILES for 4-chloro-N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride is CCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCCNCC1.Cl.
What is the InChIKey of 4-chloro-N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride?
The InChIKey is RBEISMHOVJSAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2.ClH/c1-3-13(2)16(18(24)22-11-4-9-20-10-12-22)21-17(23)14-5-7-15(19)8-6-14;/h5-8,13,16,20H,3-4,9-12H2,1-2H3,(H,21,23);1H.
What are the key properties of 4-chloro-N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride?
4-chloro-N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride has a molecular weight of 388.34 g/mol, XLogP of 2.73, 5 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)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 119414074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).