5-(2-bromoethyl)-2-chlorobenzamide

C9H9BrClNO — CID 57248047

IUPAC5-(2-bromoethyl)-2-chlorobenzamide
SMILESNC(=O)c1cc(CCBr)ccc1Cl
InChIInChI=1S/C9H9BrClNO/c10-4-3-6-1-2-8(11)7(5-6)9(12)13/h1-2,5H,3-4H2,(H2,12,13)
InChIKeySRYHXJKUYWNWJD-UHFFFAOYSA-N
MW262.53 g/mol
LogP2.38
Rot. Bonds3

About 5-(2-bromoethyl)-2-chlorobenzamide

5-(2-bromoethyl)-2-chlorobenzamide (PubChem CID 57248047) has the molecular formula C9H9BrClNO and a molecular weight of 262.53 g/mol. Its IUPAC name is 5-(2-bromoethyl)-2-chlorobenzamide.

Molecular Properties

Compound Name5-(2-bromoethyl)-2-chlorobenzamide
PubChem CID57248047
Molecular FormulaC9H9BrClNO
Molecular Weight262.53 g/mol
Exact Mass260.96
IUPAC Name5-(2-bromoethyl)-2-chlorobenzamide
SMILESNC(=O)c1cc(CCBr)ccc1Cl
InChIInChI=1S/C9H9BrClNO/c10-4-3-6-1-2-8(11)7(5-6)9(12)13/h1-2,5H,3-4H2,(H2,12,13)
InChIKeySRYHXJKUYWNWJD-UHFFFAOYSA-N
XLogP2.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.53
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(2-nitroethyl)benzamide
CID 57071444
(3-carbamoyl-4-chlorophenyl)methanesulfonic acid
CID 159734551
ethyl 4-(2-bromoethyl)-2-chlorobenzoate
CID 174282952
4-(2-bromoethyl)-1-chloro-2-methylbenzene
CID 70098865
2-chloro-5-hydroxybenzamide
CID 57422942
2-amino-5-(bromomethyl)benzamide
CID 67811564
ethyl 5-(2-bromoethyl)-2-methylbenzoate
CID 19688473
4-[(3-carbamoyl-4-chlorophenyl)methyl]piperazine-1-carboxylic acid
CID 154031948
1,5-bis(3,4-dichlorophenyl)pentan-3-one
CID 70057291
4-(3,4-dichlorophenyl)butanamide
CID 47319689
2-chloro-4-(fluoromethyl)benzamide
CID 57254997
N-[4-(2-bromoethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide
CID 114310214

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoethyl)-2-chlorobenzamide?
The IUPAC name of 5-(2-bromoethyl)-2-chlorobenzamide (CID 57248047) is 5-(2-bromoethyl)-2-chlorobenzamide.
What is the SMILES notation for 5-(2-bromoethyl)-2-chlorobenzamide?
The canonical SMILES for 5-(2-bromoethyl)-2-chlorobenzamide is NC(=O)c1cc(CCBr)ccc1Cl.
What is the InChIKey of 5-(2-bromoethyl)-2-chlorobenzamide?
The InChIKey is SRYHXJKUYWNWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO/c10-4-3-6-1-2-8(11)7(5-6)9(12)13/h1-2,5H,3-4H2,(H2,12,13).
What are the key properties of 5-(2-bromoethyl)-2-chlorobenzamide?
5-(2-bromoethyl)-2-chlorobenzamide has a molecular weight of 262.53 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoethyl)-2-chlorobenzamide is sourced from PubChem (CID 57248047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).