N-[2-(1-aminocyclopropyl)-3-bromophenyl]acetamide

C11H13BrN2O — CID 115050115

IUPACN-[2-(1-aminocyclopropyl)-3-bromophenyl]acetamide
SMILESCC(=O)Nc1cccc(Br)c1C1(N)CC1
InChIInChI=1S/C11H13BrN2O/c1-7(15)14-9-4-2-3-8(12)10(9)11(13)5-6-11/h2-4H,5-6,13H2,1H3,(H,14,15)
InChIKeyMMQOMQJAMLPNNB-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.36
Rot. Bonds2

About N-[2-(1-aminocyclopropyl)-3-bromophenyl]acetamide

N-[2-(1-aminocyclopropyl)-3-bromophenyl]acetamide (PubChem CID 115050115) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is N-[2-(1-aminocyclopropyl)-3-bromophenyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-aminocyclopropyl)-3-bromophenyl]acetamide
PubChem CID115050115
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC NameN-[2-(1-aminocyclopropyl)-3-bromophenyl]acetamide
SMILESCC(=O)Nc1cccc(Br)c1C1(N)CC1
InChIInChI=1S/C11H13BrN2O/c1-7(15)14-9-4-2-3-8(12)10(9)11(13)5-6-11/h2-4H,5-6,13H2,1H3,(H,14,15)
InChIKeyMMQOMQJAMLPNNB-UHFFFAOYSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminocyclopropyl)-3-bromophenyl]acetamide?
The IUPAC name of N-[2-(1-aminocyclopropyl)-3-bromophenyl]acetamide (CID 115050115) is N-[2-(1-aminocyclopropyl)-3-bromophenyl]acetamide.
What is the SMILES notation for N-[2-(1-aminocyclopropyl)-3-bromophenyl]acetamide?
The canonical SMILES for N-[2-(1-aminocyclopropyl)-3-bromophenyl]acetamide is CC(=O)Nc1cccc(Br)c1C1(N)CC1.
What is the InChIKey of N-[2-(1-aminocyclopropyl)-3-bromophenyl]acetamide?
The InChIKey is MMQOMQJAMLPNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-7(15)14-9-4-2-3-8(12)10(9)11(13)5-6-11/h2-4H,5-6,13H2,1H3,(H,14,15).
What are the key properties of N-[2-(1-aminocyclopropyl)-3-bromophenyl]acetamide?
N-[2-(1-aminocyclopropyl)-3-bromophenyl]acetamide has a molecular weight of 269.14 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminocyclopropyl)-3-bromophenyl]acetamide is sourced from PubChem (CID 115050115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).