3-(3-bromophenyl)-N-ethylpropanamide

C11H14BrNO — CID 44531540

IUPAC3-(3-bromophenyl)-N-ethylpropanamide
SMILESCCNC(=O)CCc1cccc(Br)c1
InChIInChI=1S/C11H14BrNO/c1-2-13-11(14)7-6-9-4-3-5-10(12)8-9/h3-5,8H,2,6-7H2,1H3,(H,13,14)
InChIKeyUGAKXJNKHSOXDT-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.52
Rot. Bonds4

About 3-(3-bromophenyl)-N-ethylpropanamide

3-(3-bromophenyl)-N-ethylpropanamide (PubChem CID 44531540) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-ethylpropanamide
PubChem CID44531540
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name3-(3-bromophenyl)-N-ethylpropanamide
SMILESCCNC(=O)CCc1cccc(Br)c1
InChIInChI=1S/C11H14BrNO/c1-2-13-11(14)7-6-9-4-3-5-10(12)8-9/h3-5,8H,2,6-7H2,1H3,(H,13,14)
InChIKeyUGAKXJNKHSOXDT-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-ethylpropanamide?
The IUPAC name of 3-(3-bromophenyl)-N-ethylpropanamide (CID 44531540) is 3-(3-bromophenyl)-N-ethylpropanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-ethylpropanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-ethylpropanamide is CCNC(=O)CCc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-N-ethylpropanamide?
The InChIKey is UGAKXJNKHSOXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-2-13-11(14)7-6-9-4-3-5-10(12)8-9/h3-5,8H,2,6-7H2,1H3,(H,13,14).
What are the key properties of 3-(3-bromophenyl)-N-ethylpropanamide?
3-(3-bromophenyl)-N-ethylpropanamide has a molecular weight of 256.14 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-ethylpropanamide is sourced from PubChem (CID 44531540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).