4-(3-bromopropoxy)-N-methylbenzamide

C11H14BrNO2 — CID 82110408

IUPAC4-(3-bromopropoxy)-N-methylbenzamide
SMILESCNC(=O)c1ccc(OCCCBr)cc1
InChIInChI=1S/C11H14BrNO2/c1-13-11(14)9-3-5-10(6-4-9)15-8-2-7-12/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyCZMSQPLZAHWSJE-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.21
Rot. Bonds5

About 4-(3-bromopropoxy)-N-methylbenzamide

4-(3-bromopropoxy)-N-methylbenzamide (PubChem CID 82110408) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 4-(3-bromopropoxy)-N-methylbenzamide.

Molecular Properties

Compound Name4-(3-bromopropoxy)-N-methylbenzamide
PubChem CID82110408
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name4-(3-bromopropoxy)-N-methylbenzamide
SMILESCNC(=O)c1ccc(OCCCBr)cc1
InChIInChI=1S/C11H14BrNO2/c1-13-11(14)9-3-5-10(6-4-9)15-8-2-7-12/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyCZMSQPLZAHWSJE-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-4-[2-(methylamino)ethoxy]benzamide
CID 19915722
4-heptoxy-N-methylbenzamide
CID 3291691
4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625
[4-(3-bromopropoxy)phenyl]-(4-hydroxyphenyl)methanone
CID 86044790
N-methyl-4-(2-phenylsulfanylethoxy)benzamide
CID 53283867
methyl 4-[4-(8-bromooctoxy)phenyl]benzoate
CID 21182253
4-[(4-butoxybenzoyl)carbamothioylamino]-N-methylbenzamide
CID 28642930
N-methyl-4-phenylmethoxybenzamide
CID 2996745
N-(methylcarbamothioyl)-4-propoxybenzamide
CID 3665751
N-hydroxy-4-[2-(methylamino)ethoxy]benzamide
CID 87613285
tert-butyl N-[2-[[4-[[4-(3-bromopropoxy)phenyl]diazenyl]benzoyl]amino]ethyl]carbamate
CID 44606146
tert-butyl N-[amino-[4-(3-bromopropoxy)phenyl]methylidene]carbamate
CID 165083505

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromopropoxy)-N-methylbenzamide?
The IUPAC name of 4-(3-bromopropoxy)-N-methylbenzamide (CID 82110408) is 4-(3-bromopropoxy)-N-methylbenzamide.
What is the SMILES notation for 4-(3-bromopropoxy)-N-methylbenzamide?
The canonical SMILES for 4-(3-bromopropoxy)-N-methylbenzamide is CNC(=O)c1ccc(OCCCBr)cc1.
What is the InChIKey of 4-(3-bromopropoxy)-N-methylbenzamide?
The InChIKey is CZMSQPLZAHWSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-13-11(14)9-3-5-10(6-4-9)15-8-2-7-12/h3-6H,2,7-8H2,1H3,(H,13,14).
What are the key properties of 4-(3-bromopropoxy)-N-methylbenzamide?
4-(3-bromopropoxy)-N-methylbenzamide has a molecular weight of 272.14 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromopropoxy)-N-methylbenzamide is sourced from PubChem (CID 82110408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).