3,4-dichloro-N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]benzamide;hydrochloride

C14H20Cl3N3O2 — CID 120652500

IUPAC3,4-dichloro-N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]benzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C14H19Cl2N3O2.ClH/c1-3-17-9(2)7-18-13(20)8-19-14(21)10-4-5-11(15)12(16)6-10;/h4-6,9,17H,3,7-8H2,1-2H3,(H,18,20)(H,19,21);1H/t9-;/m1./s1
InChIKeyGOGVDKPIRMBQLK-SBSPUUFOSA-N
MW368.69 g/mol
LogP2.26
Rot. Bonds7

About 3,4-dichloro-N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]benzamide;hydrochloride

3,4-dichloro-N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]benzamide;hydrochloride (PubChem CID 120652500) has the molecular formula C14H20Cl3N3O2 and a molecular weight of 368.69 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]benzamide;hydrochloride
PubChem CID120652500
Molecular FormulaC14H20Cl3N3O2
Molecular Weight368.69 g/mol
Exact Mass367.06
IUPAC Name3,4-dichloro-N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]benzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C14H19Cl2N3O2.ClH/c1-3-17-9(2)7-18-13(20)8-19-14(21)10-4-5-11(15)12(16)6-10;/h4-6,9,17H,3,7-8H2,1-2H3,(H,18,20)(H,19,21);1H/t9-;/m1./s1
InChIKeyGOGVDKPIRMBQLK-SBSPUUFOSA-N
XLogP2.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.69
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120828973
3,4-dichloro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 27556673
N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 9295430
3,5-dichloro-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120654646
2-(2,6-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120653936
N-[2-(3-aminopropylamino)-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
CID 119405889
3-bromo-4-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 103841455
N-[(2R)-2-(ethylamino)propyl]-3,4-dimethoxybenzamide;hydrochloride
CID 120655264
N-[(2R)-2-(ethylamino)propyl]-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride
CID 120653226
[(1R)-1-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]boronic acid
CID 25183873
N-(3-bromo-2-methylpropyl)-3,4-dichlorobenzamide
CID 114313406
N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide
CID 9336870

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]benzamide;hydrochloride?
The IUPAC name of 3,4-dichloro-N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]benzamide;hydrochloride (CID 120652500) is 3,4-dichloro-N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]benzamide;hydrochloride.
What is the SMILES notation for 3,4-dichloro-N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]benzamide;hydrochloride?
The canonical SMILES for 3,4-dichloro-N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]benzamide;hydrochloride is CCN[C@H](C)CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 3,4-dichloro-N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]benzamide;hydrochloride?
The InChIKey is GOGVDKPIRMBQLK-SBSPUUFOSA-N. The full InChI is InChI=1S/C14H19Cl2N3O2.ClH/c1-3-17-9(2)7-18-13(20)8-19-14(21)10-4-5-11(15)12(16)6-10;/h4-6,9,17H,3,7-8H2,1-2H3,(H,18,20)(H,19,21);1H/t9-;/m1./s1.
What are the key properties of 3,4-dichloro-N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]benzamide;hydrochloride?
3,4-dichloro-N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]benzamide;hydrochloride has a molecular weight of 368.69 g/mol, XLogP of 2.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]benzamide;hydrochloride is sourced from PubChem (CID 120652500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).