N-(3-bromopropyl)-2-methylbenzamide

C11H14BrNO — CID 43133629

IUPACN-(3-bromopropyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCCBr
InChIInChI=1S/C11H14BrNO/c1-9-5-2-3-6-10(9)11(14)13-8-4-7-12/h2-3,5-6H,4,7-8H2,1H3,(H,13,14)
InChIKeyBVTJSCMZSFSKRF-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.51
Rot. Bonds4

About N-(3-bromopropyl)-2-methylbenzamide

N-(3-bromopropyl)-2-methylbenzamide (PubChem CID 43133629) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is N-(3-bromopropyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-2-methylbenzamide
PubChem CID43133629
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC NameN-(3-bromopropyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCCBr
InChIInChI=1S/C11H14BrNO/c1-9-5-2-3-6-10(9)11(14)13-8-4-7-12/h2-3,5-6H,4,7-8H2,1H3,(H,13,14)
InChIKeyBVTJSCMZSFSKRF-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromobutyl)-2-methylbenzamide
CID 106845968
ethane;N-(2-hydroxyethyl)-2-methylbenzamide
CID 143093743
N-hexyl-2-methylbenzamide
CID 3017102
N-(5-bromopentyl)-2-fluoro-3-methylbenzamide
CID 107322114
N-(3-bromopropyl)-3-hydroxy-2-methylbenzamide
CID 82830177
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
trimethylsilyl 4-[(2-methylbenzoyl)amino]butanoate
CID 10780080
2-methyl-5-[(2-methylbenzoyl)amino]pentanoic acid
CID 104681725
N-(hydroxymethyl)-2-methylbenzamide
CID 5234338
2-methyl-N-(2-nitrosoethyl)benzamide
CID 143519689
N-(3-bromopropyl)-3-methylpyridine-2-carboxamide
CID 62338959
N-(5-bromopentyl)-2,4-dimethylbenzamide
CID 107321862

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-2-methylbenzamide?
The IUPAC name of N-(3-bromopropyl)-2-methylbenzamide (CID 43133629) is N-(3-bromopropyl)-2-methylbenzamide.
What is the SMILES notation for N-(3-bromopropyl)-2-methylbenzamide?
The canonical SMILES for N-(3-bromopropyl)-2-methylbenzamide is Cc1ccccc1C(=O)NCCCBr.
What is the InChIKey of N-(3-bromopropyl)-2-methylbenzamide?
The InChIKey is BVTJSCMZSFSKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-9-5-2-3-6-10(9)11(14)13-8-4-7-12/h2-3,5-6H,4,7-8H2,1H3,(H,13,14).
What are the key properties of N-(3-bromopropyl)-2-methylbenzamide?
N-(3-bromopropyl)-2-methylbenzamide has a molecular weight of 256.14 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-2-methylbenzamide is sourced from PubChem (CID 43133629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).