3,5-dichloro-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride

C12H17Cl3N2O — CID 120654646

IUPAC3,5-dichloro-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cc(Cl)cc(Cl)c1.Cl
InChIInChI=1S/C12H16Cl2N2O.ClH/c1-3-15-8(2)7-16-12(17)9-4-10(13)6-11(14)5-9;/h4-6,8,15H,3,7H2,1-2H3,(H,16,17);1H/t8-;/m1./s1
InChIKeyMNTWGIQTHZKWPV-DDWIOCJRSA-N
MW311.64 g/mol
LogP3.14
Rot. Bonds5

About 3,5-dichloro-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride

3,5-dichloro-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride (PubChem CID 120654646) has the molecular formula C12H17Cl3N2O and a molecular weight of 311.64 g/mol. Its IUPAC name is 3,5-dichloro-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3,5-dichloro-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
PubChem CID120654646
Molecular FormulaC12H17Cl3N2O
Molecular Weight311.64 g/mol
Exact Mass310.04
IUPAC Name3,5-dichloro-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cc(Cl)cc(Cl)c1.Cl
InChIInChI=1S/C12H16Cl2N2O.ClH/c1-3-15-8(2)7-16-12(17)9-4-10(13)6-11(14)5-9;/h4-6,8,15H,3,7H2,1-2H3,(H,16,17);1H/t8-;/m1./s1
InChIKeyMNTWGIQTHZKWPV-DDWIOCJRSA-N
XLogP3.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.64
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-3,5-difluorobenzamide
CID 120653813
5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide;hydrochloride
CID 120651308
N-(3-amino-2-methylpropyl)-3,5-dichlorobenzamide;hydrochloride
CID 119996487
5-bromo-N-[(2R)-2-(ethylamino)propyl]pyridine-3-carboxamide;dihydrochloride
CID 120653060
3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103770831
3,5-dichloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106434
4-N-(2,2-dimethylpropyl)-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride
CID 120651678
N-[(2R)-2-(ethylamino)propyl]-3,4-dimethoxybenzamide;hydrochloride
CID 120655264
2-bromo-5-chloro-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654149
3,4-dichloro-N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]benzamide;hydrochloride
CID 120652500
3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide
CID 103884654
3-chloro-5-ethoxy-N-[(2R)-2-(ethylamino)propyl]-4-propoxybenzamide
CID 120652489

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride?
The IUPAC name of 3,5-dichloro-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride (CID 120654646) is 3,5-dichloro-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride.
What is the SMILES notation for 3,5-dichloro-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride?
The canonical SMILES for 3,5-dichloro-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride is CCN[C@H](C)CNC(=O)c1cc(Cl)cc(Cl)c1.Cl.
What is the InChIKey of 3,5-dichloro-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride?
The InChIKey is MNTWGIQTHZKWPV-DDWIOCJRSA-N. The full InChI is InChI=1S/C12H16Cl2N2O.ClH/c1-3-15-8(2)7-16-12(17)9-4-10(13)6-11(14)5-9;/h4-6,8,15H,3,7H2,1-2H3,(H,16,17);1H/t8-;/m1./s1.
What are the key properties of 3,5-dichloro-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride?
3,5-dichloro-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride has a molecular weight of 311.64 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride is sourced from PubChem (CID 120654646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).