4-bromo-3-chloro-N-(2-ethylcyclopropyl)benzamide

C12H13BrClNO — CID 103773539

IUPAC4-bromo-3-chloro-N-(2-ethylcyclopropyl)benzamide
SMILESCCC1CC1NC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H13BrClNO/c1-2-7-6-11(7)15-12(16)8-3-4-9(13)10(14)5-8/h3-5,7,11H,2,6H2,1H3,(H,15,16)
InChIKeyFAHRWMSRZUKIOZ-UHFFFAOYSA-N
MW302.60 g/mol
LogP3.63
Rot. Bonds3

About 4-bromo-3-chloro-N-(2-ethylcyclopropyl)benzamide

4-bromo-3-chloro-N-(2-ethylcyclopropyl)benzamide (PubChem CID 103773539) has the molecular formula C12H13BrClNO and a molecular weight of 302.60 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(2-ethylcyclopropyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(2-ethylcyclopropyl)benzamide
PubChem CID103773539
Molecular FormulaC12H13BrClNO
Molecular Weight302.60 g/mol
Exact Mass300.99
IUPAC Name4-bromo-3-chloro-N-(2-ethylcyclopropyl)benzamide
SMILESCCC1CC1NC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H13BrClNO/c1-2-7-6-11(7)15-12(16)8-3-4-9(13)10(14)5-8/h3-5,7,11H,2,6H2,1H3,(H,15,16)
InChIKeyFAHRWMSRZUKIOZ-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.60
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-4-bromo-3-chlorobenzamide
CID 81306954
N-(2-aminocyclohexyl)-4-bromo-3-chlorobenzamide
CID 81295465
4-bromo-3-chloro-N-(4-propylcyclohexyl)benzamide
CID 81308175
N-(2-ethylcyclopropyl)benzamide
CID 103669419
3-amino-N-(2-ethylcyclopropyl)-4-fluorobenzamide
CID 103811291
4-bromo-3-chloro-N-cyclopent-3-en-1-ylbenzamide
CID 115703314
4-bromo-3-chloro-N-cyclohexylbenzamide
CID 81295345
4-bromo-3-chloro-N-(4,4-dimethylcyclohexyl)benzamide
CID 81308376
4-bromo-N-(2-propylcyclopropyl)-3-sulfamoylbenzamide
CID 103713871
4-bromo-3-chloro-N-(2-methylbutyl)benzamide
CID 81308083
4-bromo-3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 81295658
4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide
CID 114302596

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(2-ethylcyclopropyl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(2-ethylcyclopropyl)benzamide (CID 103773539) is 4-bromo-3-chloro-N-(2-ethylcyclopropyl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(2-ethylcyclopropyl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(2-ethylcyclopropyl)benzamide is CCC1CC1NC(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-(2-ethylcyclopropyl)benzamide?
The InChIKey is FAHRWMSRZUKIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO/c1-2-7-6-11(7)15-12(16)8-3-4-9(13)10(14)5-8/h3-5,7,11H,2,6H2,1H3,(H,15,16).
What are the key properties of 4-bromo-3-chloro-N-(2-ethylcyclopropyl)benzamide?
4-bromo-3-chloro-N-(2-ethylcyclopropyl)benzamide has a molecular weight of 302.60 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(2-ethylcyclopropyl)benzamide is sourced from PubChem (CID 103773539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).