2-(3-bromophenyl)-N',N'-dimethylpropanehydrazide

C11H15BrN2O — CID 116848149

IUPAC2-(3-bromophenyl)-N',N'-dimethylpropanehydrazide
SMILESCC(C(=O)NN(C)C)c1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O/c1-8(11(15)13-14(2)3)9-5-4-6-10(12)7-9/h4-8H,1-3H3,(H,13,15)
InChIKeyPKTOJDUKOQNQIO-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.15
Rot. Bonds3

About 2-(3-bromophenyl)-N',N'-dimethylpropanehydrazide

2-(3-bromophenyl)-N',N'-dimethylpropanehydrazide (PubChem CID 116848149) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N',N'-dimethylpropanehydrazide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N',N'-dimethylpropanehydrazide
PubChem CID116848149
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-(3-bromophenyl)-N',N'-dimethylpropanehydrazide
SMILESCC(C(=O)NN(C)C)c1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O/c1-8(11(15)13-14(2)3)9-5-4-6-10(12)7-9/h4-8H,1-3H3,(H,13,15)
InChIKeyPKTOJDUKOQNQIO-UHFFFAOYSA-N
XLogP2.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenyl)propanehydrazide
CID 116843936
2-(3-bromophenyl)-N-cyclopropylpropanamide
CID 176514290
2-(3-bromophenyl)-N-hexylpropanamide
CID 176514304
N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide
CID 55029103
4-(3-bromophenyl)pent-1-yn-3-one
CID 123650502
2-(3-bromophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)propanamide
CID 166311484
2-(3-bromophenyl)-3-methylbutanoic acid
CID 23317028
2-(4-methoxyphenyl)-N',N'-dimethylpropanehydrazide
CID 116848056
methyl 3-(3-bromophenyl)-3-(dimethylamino)propanoate
CID 116910238
2-amino-N-[1-(3-bromophenyl)ethyl]propanamide;hydrochloride
CID 119285491
2-[[2-(3-bromophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide
CID 110885617
3-(3-bromophenyl)-2-methylbutanoic acid
CID 130820149

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N',N'-dimethylpropanehydrazide?
The IUPAC name of 2-(3-bromophenyl)-N',N'-dimethylpropanehydrazide (CID 116848149) is 2-(3-bromophenyl)-N',N'-dimethylpropanehydrazide.
What is the SMILES notation for 2-(3-bromophenyl)-N',N'-dimethylpropanehydrazide?
The canonical SMILES for 2-(3-bromophenyl)-N',N'-dimethylpropanehydrazide is CC(C(=O)NN(C)C)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N',N'-dimethylpropanehydrazide?
The InChIKey is PKTOJDUKOQNQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8(11(15)13-14(2)3)9-5-4-6-10(12)7-9/h4-8H,1-3H3,(H,13,15).
What are the key properties of 2-(3-bromophenyl)-N',N'-dimethylpropanehydrazide?
2-(3-bromophenyl)-N',N'-dimethylpropanehydrazide has a molecular weight of 271.16 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N',N'-dimethylpropanehydrazide is sourced from PubChem (CID 116848149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).