2-bromo-5-chloro-N-[(2R)-2-(ethylamino)propyl]benzamide

C12H16BrClN2O — CID 120654149

IUPAC2-bromo-5-chloro-N-[(2R)-2-(ethylamino)propyl]benzamide
SMILESCCN[C@H](C)CNC(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C12H16BrClN2O/c1-3-15-8(2)7-16-12(17)10-6-9(14)4-5-11(10)13/h4-6,8,15H,3,7H2,1-2H3,(H,16,17)/t8-/m1/s1
InChIKeySBEDZWIHZALLGI-MRVPVSSYSA-N
MW319.63 g/mol
LogP2.83
Rot. Bonds5

About 2-bromo-5-chloro-N-[(2R)-2-(ethylamino)propyl]benzamide

2-bromo-5-chloro-N-[(2R)-2-(ethylamino)propyl]benzamide (PubChem CID 120654149) has the molecular formula C12H16BrClN2O and a molecular weight of 319.63 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[(2R)-2-(ethylamino)propyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[(2R)-2-(ethylamino)propyl]benzamide
PubChem CID120654149
Molecular FormulaC12H16BrClN2O
Molecular Weight319.63 g/mol
Exact Mass318.01
IUPAC Name2-bromo-5-chloro-N-[(2R)-2-(ethylamino)propyl]benzamide
SMILESCCN[C@H](C)CNC(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C12H16BrClN2O/c1-3-15-8(2)7-16-12(17)10-6-9(14)4-5-11(10)13/h4-6,8,15H,3,7H2,1-2H3,(H,16,17)/t8-/m1/s1
InChIKeySBEDZWIHZALLGI-MRVPVSSYSA-N
XLogP2.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide;hydrochloride
CID 120651308
5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-ethylsulfanylbenzamide
CID 120652149
2-bromo-N-[(2R)-2-(ethylamino)propyl]-5-fluorobenzamide;hydrochloride
CID 120651990
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
N-(2-amino-3-methylbutyl)-2-bromo-5-chlorobenzamide
CID 113265782
4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide
CID 120650065
N-[(2R)-2-(ethylamino)propyl]-2,5-difluorobenzamide
CID 120651737
2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508533
2-bromo-5-chloro-N-(2,2-dicyclopropylethyl)benzamide
CID 103709264
N-[(2R)-2-(ethylamino)propyl]-2-fluoro-5-methylbenzamide
CID 120654085
2-(4-chlorobenzoyl)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120655275
2-bromo-5-chloro-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111461022

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[(2R)-2-(ethylamino)propyl]benzamide?
The IUPAC name of 2-bromo-5-chloro-N-[(2R)-2-(ethylamino)propyl]benzamide (CID 120654149) is 2-bromo-5-chloro-N-[(2R)-2-(ethylamino)propyl]benzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-[(2R)-2-(ethylamino)propyl]benzamide?
The canonical SMILES for 2-bromo-5-chloro-N-[(2R)-2-(ethylamino)propyl]benzamide is CCN[C@H](C)CNC(=O)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-[(2R)-2-(ethylamino)propyl]benzamide?
The InChIKey is SBEDZWIHZALLGI-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16BrClN2O/c1-3-15-8(2)7-16-12(17)10-6-9(14)4-5-11(10)13/h4-6,8,15H,3,7H2,1-2H3,(H,16,17)/t8-/m1/s1.
What are the key properties of 2-bromo-5-chloro-N-[(2R)-2-(ethylamino)propyl]benzamide?
2-bromo-5-chloro-N-[(2R)-2-(ethylamino)propyl]benzamide has a molecular weight of 319.63 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-[(2R)-2-(ethylamino)propyl]benzamide is sourced from PubChem (CID 120654149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).