2-bromo-N-(5-chloro-2-cyanophenyl)butanamide

C11H10BrClN2O — CID 60723141

IUPAC2-bromo-N-(5-chloro-2-cyanophenyl)butanamide
SMILESCCC(Br)C(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C11H10BrClN2O/c1-2-9(12)11(16)15-10-5-8(13)4-3-7(10)6-14/h3-5,9H,2H2,1H3,(H,15,16)
InChIKeyPAPWFECEIHLXTA-UHFFFAOYSA-N
MW301.57 g/mol
LogP3.32
Rot. Bonds3

About 2-bromo-N-(5-chloro-2-cyanophenyl)butanamide

2-bromo-N-(5-chloro-2-cyanophenyl)butanamide (PubChem CID 60723141) has the molecular formula C11H10BrClN2O and a molecular weight of 301.57 g/mol. Its IUPAC name is 2-bromo-N-(5-chloro-2-cyanophenyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(5-chloro-2-cyanophenyl)butanamide
PubChem CID60723141
Molecular FormulaC11H10BrClN2O
Molecular Weight301.57 g/mol
Exact Mass299.97
IUPAC Name2-bromo-N-(5-chloro-2-cyanophenyl)butanamide
SMILESCCC(Br)C(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C11H10BrClN2O/c1-2-9(12)11(16)15-10-5-8(13)4-3-7(10)6-14/h3-5,9H,2H2,1H3,(H,15,16)
InChIKeyPAPWFECEIHLXTA-UHFFFAOYSA-N
XLogP3.32
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.57
LogP ≤ 53.32
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

N-(5-chloro-2-cyanophenyl)-2,2-dimethylbutanamide
CID 64919411
(2S)-2-amino-N-(5-chloro-2-cyanophenyl)-3-methylbutanamide
CID 61156530
2-bromo-N-(4-chloro-2-iodophenyl)butanamide
CID 107624936
2-[[(5-chloro-2-cyanophenyl)carbamoylamino]methyl]butanoic acid
CID 65224623
2-bromo-N-(3-cyano-4-fluorophenyl)butanamide
CID 62855843
2-bromo-N-(5-chloro-2-propoxyphenyl)butanamide
CID 62854326
(2R)-2-[(5-chloro-2-cyanophenyl)carbamoylamino]pentanoic acid
CID 107567136
N-(5-chloro-2-cyanophenyl)hexanamide
CID 60628682
N-(5-chloro-2-cyanophenyl)-3-(ethylamino)butanamide
CID 55123280
N-butan-2-yl-2-(5-chloro-2-cyanoanilino)propanamide
CID 64920481
3-[(5-chloro-2-cyanophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66166765
2-[[(5-chloro-2-cyanophenyl)carbamoylamino]methyl]pentanoic acid
CID 65224625

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-chloro-2-cyanophenyl)butanamide?
The IUPAC name of 2-bromo-N-(5-chloro-2-cyanophenyl)butanamide (CID 60723141) is 2-bromo-N-(5-chloro-2-cyanophenyl)butanamide.
What is the SMILES notation for 2-bromo-N-(5-chloro-2-cyanophenyl)butanamide?
The canonical SMILES for 2-bromo-N-(5-chloro-2-cyanophenyl)butanamide is CCC(Br)C(=O)Nc1cc(Cl)ccc1C#N.
What is the InChIKey of 2-bromo-N-(5-chloro-2-cyanophenyl)butanamide?
The InChIKey is PAPWFECEIHLXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O/c1-2-9(12)11(16)15-10-5-8(13)4-3-7(10)6-14/h3-5,9H,2H2,1H3,(H,15,16).
What are the key properties of 2-bromo-N-(5-chloro-2-cyanophenyl)butanamide?
2-bromo-N-(5-chloro-2-cyanophenyl)butanamide has a molecular weight of 301.57 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-chloro-2-cyanophenyl)butanamide is sourced from PubChem (CID 60723141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).