N-[3-(bromomethyl)phenyl]-2-propoxyacetamide

C12H16BrNO2 — CID 107941211

IUPACN-[3-(bromomethyl)phenyl]-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1cccc(CBr)c1
InChIInChI=1S/C12H16BrNO2/c1-2-6-16-9-12(15)14-11-5-3-4-10(7-11)8-13/h3-5,7H,2,6,8-9H2,1H3,(H,14,15)
InChIKeyBPWFGPMZRHDGDL-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.95
Rot. Bonds6

About N-[3-(bromomethyl)phenyl]-2-propoxyacetamide

N-[3-(bromomethyl)phenyl]-2-propoxyacetamide (PubChem CID 107941211) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-[3-(bromomethyl)phenyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)phenyl]-2-propoxyacetamide
PubChem CID107941211
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-[3-(bromomethyl)phenyl]-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1cccc(CBr)c1
InChIInChI=1S/C12H16BrNO2/c1-2-6-16-9-12(15)14-11-5-3-4-10(7-11)8-13/h3-5,7H,2,6,8-9H2,1H3,(H,14,15)
InChIKeyBPWFGPMZRHDGDL-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(bromomethyl)phenyl]-2-ethoxyacetamide
CID 114307296
N-[3-(bromomethyl)phenyl]-2-(4-hexadecoxyphenoxy)acetamide
CID 10053531
2-ethoxy-N-[3-(methylaminomethyl)phenyl]acetamide;hydrochloride
CID 119441041
2-ethoxy-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 106910809
N-[3-(bromomethyl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 114307304
N-[3-(bromomethyl)phenyl]-2-(3-chlorophenoxy)acetamide
CID 114307192
2-ethoxy-N-(3-hydroxyphenyl)acetamide
CID 28780663
N-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide
CID 79473101
N-[3-(bromomethyl)phenyl]-3-(4-tetradecoxyphenyl)propanamide
CID 10346906
N-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide
CID 63684342
propyl N-[3-(aminomethyl)phenyl]carbamate
CID 43309364
2-ethoxy-N-(3-ethoxyphenyl)acetamide
CID 61062065

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)phenyl]-2-propoxyacetamide?
The IUPAC name of N-[3-(bromomethyl)phenyl]-2-propoxyacetamide (CID 107941211) is N-[3-(bromomethyl)phenyl]-2-propoxyacetamide.
What is the SMILES notation for N-[3-(bromomethyl)phenyl]-2-propoxyacetamide?
The canonical SMILES for N-[3-(bromomethyl)phenyl]-2-propoxyacetamide is CCCOCC(=O)Nc1cccc(CBr)c1.
What is the InChIKey of N-[3-(bromomethyl)phenyl]-2-propoxyacetamide?
The InChIKey is BPWFGPMZRHDGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-2-6-16-9-12(15)14-11-5-3-4-10(7-11)8-13/h3-5,7H,2,6,8-9H2,1H3,(H,14,15).
What are the key properties of N-[3-(bromomethyl)phenyl]-2-propoxyacetamide?
N-[3-(bromomethyl)phenyl]-2-propoxyacetamide has a molecular weight of 286.17 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)phenyl]-2-propoxyacetamide is sourced from PubChem (CID 107941211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).