2-chloro-N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide;hydrochloride

C20H25Cl2N3O2 — CID 119429689

IUPAC2-chloro-N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide;hydrochloride
SMILESCNCCCNC(=O)CC(NC(=O)c1ccccc1Cl)c1ccccc1.Cl
InChIInChI=1S/C20H24ClN3O2.ClH/c1-22-12-7-13-23-19(25)14-18(15-8-3-2-4-9-15)24-20(26)16-10-5-6-11-17(16)21;/h2-6,8-11,18,22H,7,12-14H2,1H3,(H,23,25)(H,24,26);1H
InChIKeyPJDTXOLSWHGMIU-UHFFFAOYSA-N
MW410.35 g/mol
LogP3.35
Rot. Bonds9

About 2-chloro-N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide;hydrochloride

2-chloro-N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide;hydrochloride (PubChem CID 119429689) has the molecular formula C20H25Cl2N3O2 and a molecular weight of 410.35 g/mol. Its IUPAC name is 2-chloro-N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide;hydrochloride
PubChem CID119429689
Molecular FormulaC20H25Cl2N3O2
Molecular Weight410.35 g/mol
Exact Mass409.13
IUPAC Name2-chloro-N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide;hydrochloride
SMILESCNCCCNC(=O)CC(NC(=O)c1ccccc1Cl)c1ccccc1.Cl
InChIInChI=1S/C20H24ClN3O2.ClH/c1-22-12-7-13-23-19(25)14-18(15-8-3-2-4-9-15)24-20(26)16-10-5-6-11-17(16)21;/h2-6,8-11,18,22H,7,12-14H2,1H3,(H,23,25)(H,24,26);1H
InChIKeyPJDTXOLSWHGMIU-UHFFFAOYSA-N
XLogP3.35
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide
CID 119429690
N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide
CID 119431387
2-chloro-N-[(1S)-3-[2-(2-methylpropanoylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide
CID 93235676
2-chloro-N-[3-[3-[methyl(methylsulfonyl)amino]propylamino]-3-oxo-1-phenylpropyl]benzamide
CID 46434139
2-chloro-N-[3-oxo-1-phenyl-3-(2-phenylsulfanylethylamino)propyl]benzamide
CID 55389241
3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119432712
2-chloro-N-[3-[2-(2-methylphenoxy)ethylamino]-3-oxo-1-phenylpropyl]benzamide
CID 55907565
2-chloro-N-[3-[4-(3-methylpiperidin-1-yl)butylamino]-3-oxo-1-phenylpropyl]benzamide
CID 60516198
N-[3-(butan-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 4806734
(2S)-2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]butanoic acid
CID 166239591
[2-(butylcarbamoylamino)-2-oxoethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 55418410
2-chloro-N-[(1R)-3-(2-methylbutan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide
CID 7700948

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide;hydrochloride?
The IUPAC name of 2-chloro-N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide;hydrochloride (CID 119429689) is 2-chloro-N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide;hydrochloride?
The canonical SMILES for 2-chloro-N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide;hydrochloride is CNCCCNC(=O)CC(NC(=O)c1ccccc1Cl)c1ccccc1.Cl.
What is the InChIKey of 2-chloro-N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide;hydrochloride?
The InChIKey is PJDTXOLSWHGMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2.ClH/c1-22-12-7-13-23-19(25)14-18(15-8-3-2-4-9-15)24-20(26)16-10-5-6-11-17(16)21;/h2-6,8-11,18,22H,7,12-14H2,1H3,(H,23,25)(H,24,26);1H.
What are the key properties of 2-chloro-N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide;hydrochloride?
2-chloro-N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide;hydrochloride has a molecular weight of 410.35 g/mol, XLogP of 3.35, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide;hydrochloride is sourced from PubChem (CID 119429689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).