N-(3-bromophenyl)-N-propylacetamide

C11H14BrNO — CID 67272874

IUPACN-(3-bromophenyl)-N-propylacetamide
SMILESCCCN(C(C)=O)c1cccc(Br)c1
InChIInChI=1S/C11H14BrNO/c1-3-7-13(9(2)14)11-6-4-5-10(12)8-11/h4-6,8H,3,7H2,1-2H3
InChIKeyNDFDTBOXPJUACI-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.21
Rot. Bonds3

About N-(3-bromophenyl)-N-propylacetamide

N-(3-bromophenyl)-N-propylacetamide (PubChem CID 67272874) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is N-(3-bromophenyl)-N-propylacetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N-propylacetamide
PubChem CID67272874
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC NameN-(3-bromophenyl)-N-propylacetamide
SMILESCCCN(C(C)=O)c1cccc(Br)c1
InChIInChI=1S/C11H14BrNO/c1-3-7-13(9(2)14)11-6-4-5-10(12)8-11/h4-6,8H,3,7H2,1-2H3
InChIKeyNDFDTBOXPJUACI-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N-propylacetamide?
The IUPAC name of N-(3-bromophenyl)-N-propylacetamide (CID 67272874) is N-(3-bromophenyl)-N-propylacetamide.
What is the SMILES notation for N-(3-bromophenyl)-N-propylacetamide?
The canonical SMILES for N-(3-bromophenyl)-N-propylacetamide is CCCN(C(C)=O)c1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-N-propylacetamide?
The InChIKey is NDFDTBOXPJUACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-3-7-13(9(2)14)11-6-4-5-10(12)8-11/h4-6,8H,3,7H2,1-2H3.
What are the key properties of N-(3-bromophenyl)-N-propylacetamide?
N-(3-bromophenyl)-N-propylacetamide has a molecular weight of 256.14 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N-propylacetamide is sourced from PubChem (CID 67272874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).