5-bromo-2-chloro-N,N-bis(2-ethoxyethyl)benzamide

C15H21BrClNO3 — CID 82960004

IUPAC5-bromo-2-chloro-N,N-bis(2-ethoxyethyl)benzamide
SMILESCCOCCN(CCOCC)C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H21BrClNO3/c1-3-20-9-7-18(8-10-21-4-2)15(19)13-11-12(16)5-6-14(13)17/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyVCFIXIMQAGIVTM-UHFFFAOYSA-N
MW378.69 g/mol
LogP3.62
Rot. Bonds9

About 5-bromo-2-chloro-N,N-bis(2-ethoxyethyl)benzamide

5-bromo-2-chloro-N,N-bis(2-ethoxyethyl)benzamide (PubChem CID 82960004) has the molecular formula C15H21BrClNO3 and a molecular weight of 378.69 g/mol. Its IUPAC name is 5-bromo-2-chloro-N,N-bis(2-ethoxyethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N,N-bis(2-ethoxyethyl)benzamide
PubChem CID82960004
Molecular FormulaC15H21BrClNO3
Molecular Weight378.69 g/mol
Exact Mass377.04
IUPAC Name5-bromo-2-chloro-N,N-bis(2-ethoxyethyl)benzamide
SMILESCCOCCN(CCOCC)C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H21BrClNO3/c1-3-20-9-7-18(8-10-21-4-2)15(19)13-11-12(16)5-6-14(13)17/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyVCFIXIMQAGIVTM-UHFFFAOYSA-N
XLogP3.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.69
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N,N-bis(2-ethoxyethyl)-2-sulfanylbenzamide
CID 107033845
5-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655961
4-bromo-N-(2-ethoxyethyl)-N-ethyl-2-hydroxybenzamide
CID 63692169
5-bromo-2-chloro-N,N-bis(3-methylbutyl)benzamide
CID 60653063
ethyl 2-[(5-bromo-2-chlorobenzoyl)-ethylamino]acetate
CID 61021378
2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63696093
5-bromo-N-butyl-2-chloro-N-methylbenzamide
CID 60653969
2,4-dibromo-N-[2-(2-chloroethoxy)ethyl]-N-ethylbenzamide
CID 114263894
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-5-bromo-2-chloro-N-ethylbenzamide
CID 54992466
5-bromo-2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 60528009
5-amino-N,N-bis(2-ethoxyethyl)-2-methylbenzamide
CID 82959703
5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80709080

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N,N-bis(2-ethoxyethyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N,N-bis(2-ethoxyethyl)benzamide (CID 82960004) is 5-bromo-2-chloro-N,N-bis(2-ethoxyethyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N,N-bis(2-ethoxyethyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N,N-bis(2-ethoxyethyl)benzamide is CCOCCN(CCOCC)C(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N,N-bis(2-ethoxyethyl)benzamide?
The InChIKey is VCFIXIMQAGIVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClNO3/c1-3-20-9-7-18(8-10-21-4-2)15(19)13-11-12(16)5-6-14(13)17/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of 5-bromo-2-chloro-N,N-bis(2-ethoxyethyl)benzamide?
5-bromo-2-chloro-N,N-bis(2-ethoxyethyl)benzamide has a molecular weight of 378.69 g/mol, XLogP of 3.62, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N,N-bis(2-ethoxyethyl)benzamide is sourced from PubChem (CID 82960004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).