5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide;hydrochloride

C12H17Cl2FN2O — CID 120651308

IUPAC5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cc(Cl)ccc1F.Cl
InChIInChI=1S/C12H16ClFN2O.ClH/c1-3-15-8(2)7-16-12(17)10-6-9(13)4-5-11(10)14;/h4-6,8,15H,3,7H2,1-2H3,(H,16,17);1H/t8-;/m1./s1
InChIKeyYEMNGWSXTFOZPZ-DDWIOCJRSA-N
MW295.19 g/mol
LogP2.63
Rot. Bonds5

About 5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide;hydrochloride

5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide;hydrochloride (PubChem CID 120651308) has the molecular formula C12H17Cl2FN2O and a molecular weight of 295.19 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide;hydrochloride
PubChem CID120651308
Molecular FormulaC12H17Cl2FN2O
Molecular Weight295.19 g/mol
Exact Mass294.07
IUPAC Name5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cc(Cl)ccc1F.Cl
InChIInChI=1S/C12H16ClFN2O.ClH/c1-3-15-8(2)7-16-12(17)10-6-9(13)4-5-11(10)14;/h4-6,8,15H,3,7H2,1-2H3,(H,16,17);1H/t8-;/m1./s1
InChIKeyYEMNGWSXTFOZPZ-DDWIOCJRSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-2,5-difluorobenzamide
CID 120651737
N-[(2R)-2-(ethylamino)propyl]-2-fluoro-5-methylbenzamide
CID 120654085
2-bromo-5-chloro-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654149
5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-ethylsulfanylbenzamide
CID 120652149
4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide
CID 120650065
3,5-dichloro-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120654646
2-[[(5-chloro-2-fluorobenzoyl)amino]methyl]butanoic acid
CID 65217744
2-bromo-N-[(2R)-2-(ethylamino)propyl]-5-fluorobenzamide;hydrochloride
CID 120651990
N-[(2R)-2-(ethylamino)propyl]-3,5-difluorobenzamide
CID 120653813
2-(4-chlorobenzoyl)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120655275
5-[(5-chloro-2-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 82009047
5-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzamide
CID 66175370

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide;hydrochloride?
The IUPAC name of 5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide;hydrochloride (CID 120651308) is 5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide;hydrochloride?
The canonical SMILES for 5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide;hydrochloride is CCN[C@H](C)CNC(=O)c1cc(Cl)ccc1F.Cl.
What is the InChIKey of 5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide;hydrochloride?
The InChIKey is YEMNGWSXTFOZPZ-DDWIOCJRSA-N. The full InChI is InChI=1S/C12H16ClFN2O.ClH/c1-3-15-8(2)7-16-12(17)10-6-9(13)4-5-11(10)14;/h4-6,8,15H,3,7H2,1-2H3,(H,16,17);1H/t8-;/m1./s1.
What are the key properties of 5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide;hydrochloride?
5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide;hydrochloride has a molecular weight of 295.19 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide;hydrochloride is sourced from PubChem (CID 120651308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).