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

C12H16BrNO2 — CID 106441301

IUPACN-(3-bromopropyl)-2-methoxy-N-methylbenzamide
SMILESCOc1ccccc1C(=O)N(C)CCCBr
InChIInChI=1S/C12H16BrNO2/c1-14(9-5-8-13)12(15)10-6-3-4-7-11(10)16-2/h3-4,6-7H,5,8-9H2,1-2H3
InChIKeyLCQOVRFMNDVNGZ-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.55
Rot. Bonds5

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

N-(3-bromopropyl)-2-methoxy-N-methylbenzamide (PubChem CID 106441301) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-(3-bromopropyl)-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-2-methoxy-N-methylbenzamide
PubChem CID106441301
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-(3-bromopropyl)-2-methoxy-N-methylbenzamide
SMILESCOc1ccccc1C(=O)N(C)CCCBr
InChIInChI=1S/C12H16BrNO2/c1-14(9-5-8-13)12(15)10-6-3-4-7-11(10)16-2/h3-4,6-7H,5,8-9H2,1-2H3
InChIKeyLCQOVRFMNDVNGZ-UHFFFAOYSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromopentyl)-2,3-dimethoxy-N-methylbenzamide
CID 107206269
methyl 2-[(2-methoxybenzoyl)-methylamino]acetate
CID 584991
N-butyl-2,3-dimethoxy-N-methylbenzamide
CID 78796146
2-methoxy-N,N-bis(2-methoxyethyl)benzamide
CID 51072625
2-amino-N-(3-methoxypropyl)-N-methylbenzamide
CID 62983937
N-(4-bromobutyl)-2-methoxybenzamide
CID 106845963
N-(2-bromoethyl)-2-methoxy-N-pentan-3-ylbenzamide
CID 80670187
pentyl 2-[(2-methoxybenzoyl)-methylamino]acetate
CID 91715427
2-bromo-N-(3-bromopropyl)-3-fluoro-N-methylbenzamide
CID 106441224
5-fluoro-2-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide
CID 55897554
4-bromo-2-methoxy-N-(3-methoxypropyl)-N-methylbenzamide
CID 78987861
CID 135043978
CID 135043978

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-2-methoxy-N-methylbenzamide?
The IUPAC name of N-(3-bromopropyl)-2-methoxy-N-methylbenzamide (CID 106441301) is N-(3-bromopropyl)-2-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(3-bromopropyl)-2-methoxy-N-methylbenzamide?
The canonical SMILES for N-(3-bromopropyl)-2-methoxy-N-methylbenzamide is COc1ccccc1C(=O)N(C)CCCBr.
What is the InChIKey of N-(3-bromopropyl)-2-methoxy-N-methylbenzamide?
The InChIKey is LCQOVRFMNDVNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-14(9-5-8-13)12(15)10-6-3-4-7-11(10)16-2/h3-4,6-7H,5,8-9H2,1-2H3.
What are the key properties of N-(3-bromopropyl)-2-methoxy-N-methylbenzamide?
N-(3-bromopropyl)-2-methoxy-N-methylbenzamide has a molecular weight of 286.17 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 106441301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).