3,4-dichloro-N-[2-methyl-2-(2-phenylethylamino)propyl]benzamide;hydrochloride

C19H23Cl3N2O — CID 21409878

IUPAC3,4-dichloro-N-[2-methyl-2-(2-phenylethylamino)propyl]benzamide;hydrochloride
SMILESCC(C)(CNC(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccccc1.Cl
InChIInChI=1S/C19H22Cl2N2O.ClH/c1-19(2,23-11-10-14-6-4-3-5-7-14)13-22-18(24)15-8-9-16(20)17(21)12-15;/h3-9,12,23H,10-11,13H2,1-2H3,(H,22,24);1H
InChIKeyVXRCZMIBDOPRNN-UHFFFAOYSA-N
MW401.77 g/mol
LogP4.76
Rot. Bonds7

About 3,4-dichloro-N-[2-methyl-2-(2-phenylethylamino)propyl]benzamide;hydrochloride

3,4-dichloro-N-[2-methyl-2-(2-phenylethylamino)propyl]benzamide;hydrochloride (PubChem CID 21409878) has the molecular formula C19H23Cl3N2O and a molecular weight of 401.77 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-methyl-2-(2-phenylethylamino)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3,4-dichloro-N-[2-methyl-2-(2-phenylethylamino)propyl]benzamide;hydrochloride
PubChem CID21409878
Molecular FormulaC19H23Cl3N2O
Molecular Weight401.77 g/mol
Exact Mass400.09
IUPAC Name3,4-dichloro-N-[2-methyl-2-(2-phenylethylamino)propyl]benzamide;hydrochloride
SMILESCC(C)(CNC(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccccc1.Cl
InChIInChI=1S/C19H22Cl2N2O.ClH/c1-19(2,23-11-10-14-6-4-3-5-7-14)13-22-18(24)15-8-9-16(20)17(21)12-15;/h3-9,12,23H,10-11,13H2,1-2H3,(H,22,24);1H
InChIKeyVXRCZMIBDOPRNN-UHFFFAOYSA-N
XLogP4.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.77
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111944
N-(2-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 81483692
N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide
CID 9336870
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240344
3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837884
3,4-dichloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 90500989
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 27666006
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
1-(3,4-dichlorophenyl)-3-phenylpropan-1-one
CID 18351990
3,4-dichloro-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429508
3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 38295590

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-methyl-2-(2-phenylethylamino)propyl]benzamide;hydrochloride?
The IUPAC name of 3,4-dichloro-N-[2-methyl-2-(2-phenylethylamino)propyl]benzamide;hydrochloride (CID 21409878) is 3,4-dichloro-N-[2-methyl-2-(2-phenylethylamino)propyl]benzamide;hydrochloride.
What is the SMILES notation for 3,4-dichloro-N-[2-methyl-2-(2-phenylethylamino)propyl]benzamide;hydrochloride?
The canonical SMILES for 3,4-dichloro-N-[2-methyl-2-(2-phenylethylamino)propyl]benzamide;hydrochloride is CC(C)(CNC(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccccc1.Cl.
What is the InChIKey of 3,4-dichloro-N-[2-methyl-2-(2-phenylethylamino)propyl]benzamide;hydrochloride?
The InChIKey is VXRCZMIBDOPRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O.ClH/c1-19(2,23-11-10-14-6-4-3-5-7-14)13-22-18(24)15-8-9-16(20)17(21)12-15;/h3-9,12,23H,10-11,13H2,1-2H3,(H,22,24);1H.
What are the key properties of 3,4-dichloro-N-[2-methyl-2-(2-phenylethylamino)propyl]benzamide;hydrochloride?
3,4-dichloro-N-[2-methyl-2-(2-phenylethylamino)propyl]benzamide;hydrochloride has a molecular weight of 401.77 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-methyl-2-(2-phenylethylamino)propyl]benzamide;hydrochloride is sourced from PubChem (CID 21409878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).