2-bromo-3-(2-cyanophenyl)propanamide

C10H9BrN2O — CID 104513026

IUPAC2-bromo-3-(2-cyanophenyl)propanamide
SMILESN#Cc1ccccc1CC(Br)C(N)=O
InChIInChI=1S/C10H9BrN2O/c11-9(10(13)14)5-7-3-1-2-4-8(7)6-12/h1-4,9H,5H2,(H2,13,14)
InChIKeyUPJMMDBTLSYUSF-UHFFFAOYSA-N
MW253.10 g/mol
LogP1.35
Rot. Bonds3

About 2-bromo-3-(2-cyanophenyl)propanamide

2-bromo-3-(2-cyanophenyl)propanamide (PubChem CID 104513026) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 2-bromo-3-(2-cyanophenyl)propanamide.

Molecular Properties

Compound Name2-bromo-3-(2-cyanophenyl)propanamide
PubChem CID104513026
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name2-bromo-3-(2-cyanophenyl)propanamide
SMILESN#Cc1ccccc1CC(Br)C(N)=O
InChIInChI=1S/C10H9BrN2O/c11-9(10(13)14)5-7-3-1-2-4-8(7)6-12/h1-4,9H,5H2,(H2,13,14)
InChIKeyUPJMMDBTLSYUSF-UHFFFAOYSA-N
XLogP1.35
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-3-cyclopropyl-3-oxopropyl)benzonitrile
CID 62393572
(2-cyanophenyl)methyl carbamate
CID 66644204
2-[3-(2-cyanophenyl)-2-oxopropyl]benzonitrile
CID 13459099
2-(2-amino-3-oxopropyl)benzonitrile
CID 89390391
2-(2,2-difluoroethyl)benzonitrile
CID 117276458
3-[(2-cyanophenyl)methyl]-4-methoxy-4-oxobutanoic acid
CID 20558968
2-bromo-3-(2-chloro-4-cyanophenyl)propanamide
CID 107810355
2-(2-bromoethyl)benzonitrile
CID 57227888
2-[(2-cyanophenyl)methyl]benzonitrile
CID 19390291
2-[(2-cyanophenyl)methyl-propan-2-ylamino]acetamide
CID 8559770
2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile
CID 123672442
2-(2-ethynylphenyl)acetamide
CID 53342997

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(2-cyanophenyl)propanamide?
The IUPAC name of 2-bromo-3-(2-cyanophenyl)propanamide (CID 104513026) is 2-bromo-3-(2-cyanophenyl)propanamide.
What is the SMILES notation for 2-bromo-3-(2-cyanophenyl)propanamide?
The canonical SMILES for 2-bromo-3-(2-cyanophenyl)propanamide is N#Cc1ccccc1CC(Br)C(N)=O.
What is the InChIKey of 2-bromo-3-(2-cyanophenyl)propanamide?
The InChIKey is UPJMMDBTLSYUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c11-9(10(13)14)5-7-3-1-2-4-8(7)6-12/h1-4,9H,5H2,(H2,13,14).
What are the key properties of 2-bromo-3-(2-cyanophenyl)propanamide?
2-bromo-3-(2-cyanophenyl)propanamide has a molecular weight of 253.10 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(2-cyanophenyl)propanamide is sourced from PubChem (CID 104513026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).