3-bromo-5-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide

C13H16BrClN2O2 — CID 113286144

IUPAC3-bromo-5-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
SMILESCCNC(=O)CN(CC)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H16BrClN2O2/c1-3-16-12(18)8-17(4-2)13(19)9-5-10(14)7-11(15)6-9/h5-7H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyFVCGFRMYYUYRAR-UHFFFAOYSA-N
MW347.64 g/mol
LogP2.70
Rot. Bonds5

About 3-bromo-5-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide

3-bromo-5-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide (PubChem CID 113286144) has the molecular formula C13H16BrClN2O2 and a molecular weight of 347.64 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
PubChem CID113286144
Molecular FormulaC13H16BrClN2O2
Molecular Weight347.64 g/mol
Exact Mass346.01
IUPAC Name3-bromo-5-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
SMILESCCNC(=O)CN(CC)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H16BrClN2O2/c1-3-16-12(18)8-17(4-2)13(19)9-5-10(14)7-11(15)6-9/h5-7H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyFVCGFRMYYUYRAR-UHFFFAOYSA-N
XLogP2.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.64
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromo-5-chlorobenzoyl)-ethylamino]acetic acid
CID 107937807
methyl 2-[(3-bromo-5-chlorobenzoyl)-ethylamino]acetate
CID 103826884
3,5-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 61107585
3-bromo-N-(3-bromopropyl)-5-chloro-N-ethylbenzamide
CID 107941380
3-bromo-5-chloro-N-ethyl-N-methylbenzamide
CID 103826781
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxybenzamide
CID 54986420
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]naphthalene-2-carboxamide
CID 34797434
3-bromo-5-chloro-N-ethyl-N-(4-methylphenyl)benzamide
CID 107952307
3-bromo-5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
CID 113286150
ethyl 2-[(3-bromo-5-chlorobenzoyl)-(2-methylpropyl)amino]acetate
CID 107952118
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-3-nitrobenzamide
CID 60659844
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-dione
CID 139745262

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide (CID 113286144) is 3-bromo-5-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide is CCNC(=O)CN(CC)C(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide?
The InChIKey is FVCGFRMYYUYRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O2/c1-3-16-12(18)8-17(4-2)13(19)9-5-10(14)7-11(15)6-9/h5-7H,3-4,8H2,1-2H3,(H,16,18).
What are the key properties of 3-bromo-5-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide?
3-bromo-5-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide has a molecular weight of 347.64 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 113286144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).