2-bromo-3-(2-chloro-4-cyanophenyl)propanamide

C10H8BrClN2O — CID 107810355

IUPAC2-bromo-3-(2-chloro-4-cyanophenyl)propanamide
SMILESN#Cc1ccc(CC(Br)C(N)=O)c(Cl)c1
InChIInChI=1S/C10H8BrClN2O/c11-8(10(14)15)4-7-2-1-6(5-13)3-9(7)12/h1-3,8H,4H2,(H2,14,15)
InChIKeyMZTLGWPIAPQFMQ-UHFFFAOYSA-N
MW287.54 g/mol
LogP2.00
Rot. Bonds3

About 2-bromo-3-(2-chloro-4-cyanophenyl)propanamide

2-bromo-3-(2-chloro-4-cyanophenyl)propanamide (PubChem CID 107810355) has the molecular formula C10H8BrClN2O and a molecular weight of 287.54 g/mol. Its IUPAC name is 2-bromo-3-(2-chloro-4-cyanophenyl)propanamide.

Molecular Properties

Compound Name2-bromo-3-(2-chloro-4-cyanophenyl)propanamide
PubChem CID107810355
Molecular FormulaC10H8BrClN2O
Molecular Weight287.54 g/mol
Exact Mass285.95
IUPAC Name2-bromo-3-(2-chloro-4-cyanophenyl)propanamide
SMILESN#Cc1ccc(CC(Br)C(N)=O)c(Cl)c1
InChIInChI=1S/C10H8BrClN2O/c11-8(10(14)15)4-7-2-1-6(5-13)3-9(7)12/h1-3,8H,4H2,(H2,14,15)
InChIKeyMZTLGWPIAPQFMQ-UHFFFAOYSA-N
XLogP2.00
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.54
LogP ≤ 52.00
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

methyl 2-[(2-chloro-4-cyanophenyl)methylamino]propanoate
CID 102664268
2-[(2-chloro-4-cyanophenyl)methyl-methylamino]acetamide
CID 102665299
2-bromo-3-(2-cyanophenyl)propanamide
CID 104513026
(2S)-2-[(2-chloro-4-cyanophenyl)methylamino]propanoic acid
CID 102669063
3-chloro-4-[(2-chloro-4-cyanoanilino)methyl]benzamide
CID 107807922
2-(2-chloro-4-cyanoanilino)butanamide
CID 107807872
3-chloro-4-(2-cyanoethyl)benzonitrile
CID 131029307
2-chloro-4-cyanobenzohydrazide
CID 130952526
(2-chloro-4-cyanophenyl)methyl 3-amino-4-bromobenzoate
CID 102669563
ethyl 2-[(2-chloro-4-cyanophenyl)methylsulfonyl]acetate
CID 102670500
(2-chloro-4-cyanophenyl)methyl 4-amino-2-chlorobenzoate
CID 102669571
2-(2-chloro-4-cyanoanilino)-3-methylbutanamide
CID 106345598

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(2-chloro-4-cyanophenyl)propanamide?
The IUPAC name of 2-bromo-3-(2-chloro-4-cyanophenyl)propanamide (CID 107810355) is 2-bromo-3-(2-chloro-4-cyanophenyl)propanamide.
What is the SMILES notation for 2-bromo-3-(2-chloro-4-cyanophenyl)propanamide?
The canonical SMILES for 2-bromo-3-(2-chloro-4-cyanophenyl)propanamide is N#Cc1ccc(CC(Br)C(N)=O)c(Cl)c1.
What is the InChIKey of 2-bromo-3-(2-chloro-4-cyanophenyl)propanamide?
The InChIKey is MZTLGWPIAPQFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O/c11-8(10(14)15)4-7-2-1-6(5-13)3-9(7)12/h1-3,8H,4H2,(H2,14,15).
What are the key properties of 2-bromo-3-(2-chloro-4-cyanophenyl)propanamide?
2-bromo-3-(2-chloro-4-cyanophenyl)propanamide has a molecular weight of 287.54 g/mol, XLogP of 2.00, 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-chloro-4-cyanophenyl)propanamide is sourced from PubChem (CID 107810355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).