5-bromo-2-chloro-N-ethylbenzamide

C9H9BrClNO — CID 974924

IUPAC5-bromo-2-chloro-N-ethylbenzamide
SMILESCCNC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C9H9BrClNO/c1-2-12-9(13)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3,(H,12,13)
InChIKeyHQSZTPWXSDKGAC-UHFFFAOYSA-N
MW262.53 g/mol
LogP2.85
Rot. Bonds2

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

5-bromo-2-chloro-N-ethylbenzamide (PubChem CID 974924) has the molecular formula C9H9BrClNO and a molecular weight of 262.53 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-ethylbenzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-ethylbenzamide
PubChem CID974924
Molecular FormulaC9H9BrClNO
Molecular Weight262.53 g/mol
Exact Mass260.96
IUPAC Name5-bromo-2-chloro-N-ethylbenzamide
SMILESCCNC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C9H9BrClNO/c1-2-12-9(13)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3,(H,12,13)
InChIKeyHQSZTPWXSDKGAC-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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CID 347041
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2,4-dichloro-N-propylbenzamide
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2-Chloro-N-isobutylbenzamide
CID 220920
N-Butyl-3-chlorobenzamide
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Benzamide, 3-bromo-N-allyl-
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3-bromo-N-isopropylbenzamide
CID 669311
N-Allyl-2,6-dichlorobenzamide
CID 1769592
5-bromo-2-chloro-N,N-dimethylbenzamide
CID 2204306
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CID 10705366

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-ethylbenzamide?
The IUPAC name of 5-bromo-2-chloro-N-ethylbenzamide (CID 974924) is 5-bromo-2-chloro-N-ethylbenzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-ethylbenzamide?
The canonical SMILES for 5-bromo-2-chloro-N-ethylbenzamide is CCNC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-ethylbenzamide?
The InChIKey is HQSZTPWXSDKGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO/c1-2-12-9(13)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of 5-bromo-2-chloro-N-ethylbenzamide?
5-bromo-2-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 5-bromo-2-chloro-N-ethylbenzamide is sourced from PubChem (CID 974924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).