N-(4-bromobutyl)-2-methoxybenzamide

C12H16BrNO2 — CID 106845963

IUPACN-(4-bromobutyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCCCBr
InChIInChI=1S/C12H16BrNO2/c1-16-11-7-3-2-6-10(11)12(15)14-9-5-4-8-13/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,15)
InChIKeyGGKFODLEJAVSOK-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.60
Rot. Bonds6

About N-(4-bromobutyl)-2-methoxybenzamide

N-(4-bromobutyl)-2-methoxybenzamide (PubChem CID 106845963) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-(4-bromobutyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(4-bromobutyl)-2-methoxybenzamide
PubChem CID106845963
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-(4-bromobutyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCCCBr
InChIInChI=1S/C12H16BrNO2/c1-16-11-7-3-2-6-10(11)12(15)14-9-5-4-8-13/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,15)
InChIKeyGGKFODLEJAVSOK-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.60
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-(6-bromohexyl)-2,3-dimethoxybenzamide
CID 107847510
N-(4-chlorobutyl)-2-methoxybenzamide
CID 106845525
2-methoxy-N-tridecylbenzamide
CID 139819873
11-[(2-methoxybenzoyl)amino]undecanoic acid
CID 20625360
N-(4-bromobutyl)-2-methoxy-5-methylbenzamide
CID 106846001
N-(4-bromobutyl)-2-(difluoromethoxy)benzamide
CID 106845934
ethyl 4-[(2-methoxybenzoyl)amino]butanoate
CID 60637531
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022
N-(4-bromobutyl)-2-methylbenzamide
CID 106845968
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 108934760
3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005

Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutyl)-2-methoxybenzamide?
The IUPAC name of N-(4-bromobutyl)-2-methoxybenzamide (CID 106845963) is N-(4-bromobutyl)-2-methoxybenzamide.
What is the SMILES notation for N-(4-bromobutyl)-2-methoxybenzamide?
The canonical SMILES for N-(4-bromobutyl)-2-methoxybenzamide is COc1ccccc1C(=O)NCCCCBr.
What is the InChIKey of N-(4-bromobutyl)-2-methoxybenzamide?
The InChIKey is GGKFODLEJAVSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-16-11-7-3-2-6-10(11)12(15)14-9-5-4-8-13/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,15).
What are the key properties of N-(4-bromobutyl)-2-methoxybenzamide?
N-(4-bromobutyl)-2-methoxybenzamide has a molecular weight of 286.17 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromobutyl)-2-methoxybenzamide is sourced from PubChem (CID 106845963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).