3-bromo-4-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide

C11H12BrClN2O2 — CID 103841455

IUPAC3-bromo-4-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide
SMILESCCNC(=O)CNC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H12BrClN2O2/c1-2-14-10(16)6-15-11(17)7-3-4-9(13)8(12)5-7/h3-5H,2,6H2,1H3,(H,14,16)(H,15,17)
InChIKeySAYRSNDTKPYVAR-UHFFFAOYSA-N
MW319.59 g/mol
LogP1.97
Rot. Bonds4

About 3-bromo-4-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide

3-bromo-4-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide (PubChem CID 103841455) has the molecular formula C11H12BrClN2O2 and a molecular weight of 319.59 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide
PubChem CID103841455
Molecular FormulaC11H12BrClN2O2
Molecular Weight319.59 g/mol
Exact Mass317.98
IUPAC Name3-bromo-4-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide
SMILESCCNC(=O)CNC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H12BrClN2O2/c1-2-14-10(16)6-15-11(17)7-3-4-9(13)8(12)5-7/h3-5H,2,6H2,1H3,(H,14,16)(H,15,17)
InChIKeySAYRSNDTKPYVAR-UHFFFAOYSA-N
XLogP1.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.59
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 103907474
4-(bromomethyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 102851007
N-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-4-iodobenzamide
CID 113434653
3-bromo-4-chloro-N-(4-methoxybutyl)benzamide
CID 110610259
4-chloro-N-ethyl-3-methylbenzamide
CID 18712033
3-bromo-N-(4-bromo-2-ethylbutyl)-4-chlorobenzamide
CID 107994072
3-bromo-4-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 107990145
3-[(3-bromo-4-chlorobenzoyl)amino]-2-hydroxypropanoic acid
CID 107997968
3-bromo-4-chloro-N-(3-methylsulfinylpropyl)benzamide
CID 103842015
3-bromo-4-chloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103842950
3,4-dichloro-N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]benzamide;hydrochloride
CID 120652500
3-bromo-4-chloro-N-[2-(dimethylamino)-3-ethylpentyl]benzamide
CID 107999470

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide?
The IUPAC name of 3-bromo-4-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide (CID 103841455) is 3-bromo-4-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide is CCNC(=O)CNC(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide?
The InChIKey is SAYRSNDTKPYVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2O2/c1-2-14-10(16)6-15-11(17)7-3-4-9(13)8(12)5-7/h3-5H,2,6H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 3-bromo-4-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide?
3-bromo-4-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide has a molecular weight of 319.59 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 103841455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).