N-(3-bromophenyl)-N',N'-dipropyloxamide

C14H19BrN2O2 — CID 47335979

IUPACN-(3-bromophenyl)-N',N'-dipropyloxamide
SMILESCCCN(CCC)C(=O)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-3-8-17(9-4-2)14(19)13(18)16-12-7-5-6-11(15)10-12/h5-7,10H,3-4,8-9H2,1-2H3,(H,16,18)
InChIKeyBEUIVCIHKKTURI-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.04
Rot. Bonds5

About N-(3-bromophenyl)-N',N'-dipropyloxamide

N-(3-bromophenyl)-N',N'-dipropyloxamide (PubChem CID 47335979) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-N',N'-dipropyloxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N',N'-dipropyloxamide
PubChem CID47335979
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-(3-bromophenyl)-N',N'-dipropyloxamide
SMILESCCCN(CCC)C(=O)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-3-8-17(9-4-2)14(19)13(18)16-12-7-5-6-11(15)10-12/h5-7,10H,3-4,8-9H2,1-2H3,(H,16,18)
InChIKeyBEUIVCIHKKTURI-UHFFFAOYSA-N
XLogP3.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-butyl-N-(3-methylphenyl)-N'-propyloxamide
CID 108515660
3-(3-bromophenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 52910304
3-(3-bromophenyl)-1-heptyl-1-propylurea
CID 141136660
N'-(3-bromophenyl)-N-(4-butylphenyl)oxamide
CID 108502479
N'-(3-bromophenyl)-N-(4-ethylphenyl)oxamide
CID 108522318
N-(4-carbamoylphenyl)-N',N'-dipropyloxamide
CID 108528696
N-(3-bromophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511493
N-(3-bromophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60692729
N-(3-bromophenyl)-N'-[(2S)-1-cyanopropan-2-yl]-N'-methyloxamide
CID 129381790
N-(4-iodophenyl)-N',N'-dipropyloxamide
CID 47335998
N'-(3-bromophenyl)-N-(3-fluorophenyl)oxamide
CID 108529598
N-(3-bromophenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147615

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N',N'-dipropyloxamide?
The IUPAC name of N-(3-bromophenyl)-N',N'-dipropyloxamide (CID 47335979) is N-(3-bromophenyl)-N',N'-dipropyloxamide.
What is the SMILES notation for N-(3-bromophenyl)-N',N'-dipropyloxamide?
The canonical SMILES for N-(3-bromophenyl)-N',N'-dipropyloxamide is CCCN(CCC)C(=O)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-N',N'-dipropyloxamide?
The InChIKey is BEUIVCIHKKTURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-3-8-17(9-4-2)14(19)13(18)16-12-7-5-6-11(15)10-12/h5-7,10H,3-4,8-9H2,1-2H3,(H,16,18).
What are the key properties of N-(3-bromophenyl)-N',N'-dipropyloxamide?
N-(3-bromophenyl)-N',N'-dipropyloxamide has a molecular weight of 327.22 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N',N'-dipropyloxamide is sourced from PubChem (CID 47335979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).