N-(2-bromopropyl)-3-methylbenzamide

C11H14BrNO — CID 114308795

IUPACN-(2-bromopropyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(C)Br)c1
InChIInChI=1S/C11H14BrNO/c1-8-4-3-5-10(6-8)11(14)13-7-9(2)12/h3-6,9H,7H2,1-2H3,(H,13,14)
InChIKeyFCPMDYNESDLXDU-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.51
Rot. Bonds3

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

N-(2-bromopropyl)-3-methylbenzamide (PubChem CID 114308795) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is N-(2-bromopropyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-3-methylbenzamide
PubChem CID114308795
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC NameN-(2-bromopropyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(C)Br)c1
InChIInChI=1S/C11H14BrNO/c1-8-4-3-5-10(6-8)11(14)13-7-9(2)12/h3-6,9H,7H2,1-2H3,(H,13,14)
InChIKeyFCPMDYNESDLXDU-UHFFFAOYSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(2-methylpropyl)benzamide
CID 835315
N-(2-aminopropyl)-3-methylbenzamide
CID 63733332
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102915094
N-(2-bromopropyl)-3-iodobenzamide
CID 114308846
N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide
CID 40653428
N-(2-bromopropyl)-2-(3-methylphenyl)acetamide
CID 114308603
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methylbenzamide
CID 62666890
N-(2-bromopropyl)-3-methylsulfonylbenzamide
CID 114308747
N-(2-bromopropyl)-3-cyanobenzamide
CID 114308516
N-(2-amino-4-methyl-5-oxopentyl)-3-methylbenzamide
CID 142843740
3-methyl-N-(2-pyridin-2-ylpropyl)benzamide
CID 91333168
methyl 2-iodo-3-[(3-methylbenzoyl)amino]propanoate
CID 103493403

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-3-methylbenzamide?
The IUPAC name of N-(2-bromopropyl)-3-methylbenzamide (CID 114308795) is N-(2-bromopropyl)-3-methylbenzamide.
What is the SMILES notation for N-(2-bromopropyl)-3-methylbenzamide?
The canonical SMILES for N-(2-bromopropyl)-3-methylbenzamide is Cc1cccc(C(=O)NCC(C)Br)c1.
What is the InChIKey of N-(2-bromopropyl)-3-methylbenzamide?
The InChIKey is FCPMDYNESDLXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-8-4-3-5-10(6-8)11(14)13-7-9(2)12/h3-6,9H,7H2,1-2H3,(H,13,14).
What are the key properties of N-(2-bromopropyl)-3-methylbenzamide?
N-(2-bromopropyl)-3-methylbenzamide has a molecular weight of 256.14 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-3-methylbenzamide is sourced from PubChem (CID 114308795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).