N-(3-bromophenyl)-N-methylprop-2-ynamide

C10H8BrNO — CID 130659155

IUPACN-(3-bromophenyl)-N-methylprop-2-ynamide
SMILESC#CC(=O)N(C)c1cccc(Br)c1
InChIInChI=1S/C10H8BrNO/c1-3-10(13)12(2)9-6-4-5-8(11)7-9/h1,4-7H,2H3
InChIKeySHBAKZWOGCPNDV-UHFFFAOYSA-N
MW238.08 g/mol
LogP2.05
Rot. Bonds1

About N-(3-bromophenyl)-N-methylprop-2-ynamide

N-(3-bromophenyl)-N-methylprop-2-ynamide (PubChem CID 130659155) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is N-(3-bromophenyl)-N-methylprop-2-ynamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N-methylprop-2-ynamide
PubChem CID130659155
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC NameN-(3-bromophenyl)-N-methylprop-2-ynamide
SMILESC#CC(=O)N(C)c1cccc(Br)c1
InChIInChI=1S/C10H8BrNO/c1-3-10(13)12(2)9-6-4-5-8(11)7-9/h1,4-7H,2H3
InChIKeySHBAKZWOGCPNDV-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N-methylprop-2-ynamide?
The IUPAC name of N-(3-bromophenyl)-N-methylprop-2-ynamide (CID 130659155) is N-(3-bromophenyl)-N-methylprop-2-ynamide.
What is the SMILES notation for N-(3-bromophenyl)-N-methylprop-2-ynamide?
The canonical SMILES for N-(3-bromophenyl)-N-methylprop-2-ynamide is C#CC(=O)N(C)c1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-N-methylprop-2-ynamide?
The InChIKey is SHBAKZWOGCPNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c1-3-10(13)12(2)9-6-4-5-8(11)7-9/h1,4-7H,2H3.
What are the key properties of N-(3-bromophenyl)-N-methylprop-2-ynamide?
N-(3-bromophenyl)-N-methylprop-2-ynamide has a molecular weight of 238.08 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N-methylprop-2-ynamide is sourced from PubChem (CID 130659155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).