3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide

C12H13BrClNO — CID 103841594

IUPAC3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide
SMILESCCN(C(=O)c1ccc(Cl)c(Br)c1)C1CC1
InChIInChI=1S/C12H13BrClNO/c1-2-15(9-4-5-9)12(16)8-3-6-11(14)10(13)7-8/h3,6-7,9H,2,4-5H2,1H3
InChIKeyYAFZVZGQXRKYJG-UHFFFAOYSA-N
MW302.60 g/mol
LogP3.73
Rot. Bonds3

About 3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide

3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide (PubChem CID 103841594) has the molecular formula C12H13BrClNO and a molecular weight of 302.60 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide
PubChem CID103841594
Molecular FormulaC12H13BrClNO
Molecular Weight302.60 g/mol
Exact Mass300.99
IUPAC Name3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide
SMILESCCN(C(=O)c1ccc(Cl)c(Br)c1)C1CC1
InChIInChI=1S/C12H13BrClNO/c1-2-15(9-4-5-9)12(16)8-3-6-11(14)10(13)7-8/h3,6-7,9H,2,4-5H2,1H3
InChIKeyYAFZVZGQXRKYJG-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.60
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide?
The IUPAC name of 3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide (CID 103841594) is 3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide?
The canonical SMILES for 3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide is CCN(C(=O)c1ccc(Cl)c(Br)c1)C1CC1.
What is the InChIKey of 3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide?
The InChIKey is YAFZVZGQXRKYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO/c1-2-15(9-4-5-9)12(16)8-3-6-11(14)10(13)7-8/h3,6-7,9H,2,4-5H2,1H3.
What are the key properties of 3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide?
3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide has a molecular weight of 302.60 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide is sourced from PubChem (CID 103841594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).