2-bromo-5-chloro-N-ethylbenzamide

C9H9BrClNO — CID 18630175

IUPAC2-bromo-5-chloro-N-ethylbenzamide
SMILESCCNC(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C9H9BrClNO/c1-2-12-9(13)7-5-6(11)3-4-8(7)10/h3-5H,2H2,1H3,(H,12,13)
InChIKeyMJOWAHWJUNOQFQ-UHFFFAOYSA-N
MW262.53 g/mol
LogP2.85
Rot. Bonds2

About 2-bromo-5-chloro-N-ethylbenzamide

2-bromo-5-chloro-N-ethylbenzamide (PubChem CID 18630175) has the molecular formula C9H9BrClNO and a molecular weight of 262.53 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-ethylbenzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-ethylbenzamide
PubChem CID18630175
Molecular FormulaC9H9BrClNO
Molecular Weight262.53 g/mol
Exact Mass260.96
IUPAC Name2-bromo-5-chloro-N-ethylbenzamide
SMILESCCNC(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C9H9BrClNO/c1-2-12-9(13)7-5-6(11)3-4-8(7)10/h3-5H,2H2,1H3,(H,12,13)
InChIKeyMJOWAHWJUNOQFQ-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.53
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-bromo-5-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
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2-bromo-N-(6-bromohexyl)-5-chlorobenzamide
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(2R)-2-[(2-bromo-5-chlorobenzoyl)amino]pentanoic acid
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ethyl 7-[(2-bromo-5-chlorobenzoyl)amino]heptanoate
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-ethylbenzamide?
The IUPAC name of 2-bromo-5-chloro-N-ethylbenzamide (CID 18630175) is 2-bromo-5-chloro-N-ethylbenzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-ethylbenzamide?
The canonical SMILES for 2-bromo-5-chloro-N-ethylbenzamide is CCNC(=O)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-ethylbenzamide?
The InChIKey is MJOWAHWJUNOQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO/c1-2-12-9(13)7-5-6(11)3-4-8(7)10/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of 2-bromo-5-chloro-N-ethylbenzamide?
2-bromo-5-chloro-N-ethylbenzamide has a molecular weight of 262.53 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-ethylbenzamide is sourced from PubChem (CID 18630175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).