2-(3-bromophenyl)-N-propylacetamide

C11H14BrNO — CID 4084138

IUPAC2-(3-bromophenyl)-N-propylacetamide
SMILESCCCNC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C11H14BrNO/c1-2-6-13-11(14)8-9-4-3-5-10(12)7-9/h3-5,7H,2,6,8H2,1H3,(H,13,14)
InChIKeyWFBOFRRGMFEBEO-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.52
Rot. Bonds4

About 2-(3-bromophenyl)-N-propylacetamide

2-(3-bromophenyl)-N-propylacetamide (PubChem CID 4084138) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-propylacetamide
PubChem CID4084138
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-(3-bromophenyl)-N-propylacetamide
SMILESCCCNC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C11H14BrNO/c1-2-6-13-11(14)8-9-4-3-5-10(12)7-9/h3-5,7H,2,6,8H2,1H3,(H,13,14)
InChIKeyWFBOFRRGMFEBEO-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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Related Compounds

2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990659
2-(3-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 75419116
N-(4-bromobutyl)-2-(3-bromophenyl)acetamide
CID 106845789
2-(3-aminophenyl)-N-propylacetamide
CID 28689659
2-(3-bromophenyl)-N-(5-chloropentyl)acetamide
CID 107320862
2-(3-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide
CID 112995769
N-(2-amino-2-methylpropyl)-2-(3-bromophenyl)acetamide
CID 81483325
methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate
CID 55207927
2-(3-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113098238
2-(3-bromophenyl)-N-(3-cyanopropyl)acetamide
CID 55208949
5-[[2-(3-bromophenyl)acetyl]amino]-2-methylpentanoic acid
CID 113440578
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-propylacetamide?
The IUPAC name of 2-(3-bromophenyl)-N-propylacetamide (CID 4084138) is 2-(3-bromophenyl)-N-propylacetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-propylacetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-propylacetamide is CCCNC(=O)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-propylacetamide?
The InChIKey is WFBOFRRGMFEBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-2-6-13-11(14)8-9-4-3-5-10(12)7-9/h3-5,7H,2,6,8H2,1H3,(H,13,14).
What are the key properties of 2-(3-bromophenyl)-N-propylacetamide?
2-(3-bromophenyl)-N-propylacetamide 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 2-(3-bromophenyl)-N-propylacetamide is sourced from PubChem (CID 4084138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).