N-(4-bromophenyl)-3-propoxypropanamide

C12H16BrNO2 — CID 55208743

IUPACN-(4-bromophenyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2/c1-2-8-16-9-7-12(15)14-11-5-3-10(13)4-6-11/h3-6H,2,7-9H2,1H3,(H,14,15)
InChIKeyUTOFOWZQYZJZKE-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.20
Rot. Bonds6

About N-(4-bromophenyl)-3-propoxypropanamide

N-(4-bromophenyl)-3-propoxypropanamide (PubChem CID 55208743) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-propoxypropanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-propoxypropanamide
PubChem CID55208743
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-(4-bromophenyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2/c1-2-8-16-9-7-12(15)14-11-5-3-10(13)4-6-11/h3-6H,2,7-9H2,1H3,(H,14,15)
InChIKeyUTOFOWZQYZJZKE-UHFFFAOYSA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide
CID 63685828
2-bromo-5-(3-propoxypropanoylamino)benzoic acid
CID 113281067
N-[4-(3-hydroxypropoxy)phenyl]-3-propoxypropanamide
CID 139895573
N-[4-(2-chloroethoxy)phenyl]-3-propoxypropanamide
CID 139895595
N-[4-(3-chloropropoxy)phenyl]-3-propoxypropanamide
CID 139895559
3-propoxy-N-[4-[1-(propylamino)ethyl]phenyl]propanamide
CID 62715274
N-(3-amino-4-ethylphenyl)-3-propoxypropanamide
CID 62688579
N-[4-(aminomethyl)phenyl]-3-(2-butoxyethoxy)propanamide
CID 28996025
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide
CID 1361282
N-(4-bromophenyl)-2-(2-butoxyethylamino)acetamide
CID 61171662
5-(3-propoxypropanoylamino)benzene-1,3-dicarboxylic acid
CID 62715097
N-(6-bromo-2-pyridinyl)-3-propoxypropanamide
CID 62717521

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-propoxypropanamide?
The IUPAC name of N-(4-bromophenyl)-3-propoxypropanamide (CID 55208743) is N-(4-bromophenyl)-3-propoxypropanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-propoxypropanamide?
The canonical SMILES for N-(4-bromophenyl)-3-propoxypropanamide is CCCOCCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-propoxypropanamide?
The InChIKey is UTOFOWZQYZJZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-2-8-16-9-7-12(15)14-11-5-3-10(13)4-6-11/h3-6H,2,7-9H2,1H3,(H,14,15).
What are the key properties of N-(4-bromophenyl)-3-propoxypropanamide?
N-(4-bromophenyl)-3-propoxypropanamide has a molecular weight of 286.17 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-propoxypropanamide is sourced from PubChem (CID 55208743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).