N-[2-(bromomethyl)phenyl]butanamide

C11H14BrNO — CID 70105715

IUPACN-[2-(bromomethyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1CBr
InChIInChI=1S/C11H14BrNO/c1-2-5-11(14)13-10-7-4-3-6-9(10)8-12/h3-4,6-7H,2,5,8H2,1H3,(H,13,14)
InChIKeyKTJOJIFDBZRFSH-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.32
Rot. Bonds4

About N-[2-(bromomethyl)phenyl]butanamide

N-[2-(bromomethyl)phenyl]butanamide (PubChem CID 70105715) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is N-[2-(bromomethyl)phenyl]butanamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)phenyl]butanamide
PubChem CID70105715
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC NameN-[2-(bromomethyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1CBr
InChIInChI=1S/C11H14BrNO/c1-2-5-11(14)13-10-7-4-3-6-9(10)8-12/h3-4,6-7H,2,5,8H2,1H3,(H,13,14)
InChIKeyKTJOJIFDBZRFSH-UHFFFAOYSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.32
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

N-[2-(2-methylpropyl)phenyl]butanamide
CID 130436413
ethane;N-(2-hydroxyphenyl)butanamide
CID 142538893
N-(2-bromophenyl)butanamide
CID 732405
N-[2-(bromomethyl)phenyl]-2-methylpentanamide
CID 114309617
N-(2-fluorophenyl)butanamide
CID 849021
N-[2-(1-hydroxyethyl)phenyl]butanamide
CID 43508507
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-ethylphenyl)heptanamide
CID 4582103
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
1-[2-(bromomethyl)phenyl]-3-(dimethylamino)urea
CID 18789815
N-[2-[3,5-bis[2-(butanoylamino)phenyl]phenyl]phenyl]butanamide
CID 102081724
N-[2-(bromomethyl)phenyl]-3-(3-methylphenoxy)propanamide
CID 114309727

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)phenyl]butanamide?
The IUPAC name of N-[2-(bromomethyl)phenyl]butanamide (CID 70105715) is N-[2-(bromomethyl)phenyl]butanamide.
What is the SMILES notation for N-[2-(bromomethyl)phenyl]butanamide?
The canonical SMILES for N-[2-(bromomethyl)phenyl]butanamide is CCCC(=O)Nc1ccccc1CBr.
What is the InChIKey of N-[2-(bromomethyl)phenyl]butanamide?
The InChIKey is KTJOJIFDBZRFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-2-5-11(14)13-10-7-4-3-6-9(10)8-12/h3-4,6-7H,2,5,8H2,1H3,(H,13,14).
What are the key properties of N-[2-(bromomethyl)phenyl]butanamide?
N-[2-(bromomethyl)phenyl]butanamide has a molecular weight of 256.14 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)phenyl]butanamide is sourced from PubChem (CID 70105715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).