N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide

C17H18BrNO4 — CID 113099639

IUPACN-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCOc2cccc(Br)c2)c1
InChIInChI=1S/C17H18BrNO4/c1-21-15-8-12(9-16(11-15)22-2)17(20)19-6-7-23-14-5-3-4-13(18)10-14/h3-5,8-11H,6-7H2,1-2H3,(H,19,20)
InChIKeyCUMPWHZKKKGVCB-UHFFFAOYSA-N
MW380.24 g/mol
LogP3.28
Rot. Bonds7

About N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide

N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide (PubChem CID 113099639) has the molecular formula C17H18BrNO4 and a molecular weight of 380.24 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide
PubChem CID113099639
Molecular FormulaC17H18BrNO4
Molecular Weight380.24 g/mol
Exact Mass379.04
IUPAC NameN-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCOc2cccc(Br)c2)c1
InChIInChI=1S/C17H18BrNO4/c1-21-15-8-12(9-16(11-15)22-2)17(20)19-6-7-23-14-5-3-4-13(18)10-14/h3-5,8-11H,6-7H2,1-2H3,(H,19,20)
InChIKeyCUMPWHZKKKGVCB-UHFFFAOYSA-N
XLogP3.28
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113100586
N-[2-(3-fluorophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099242
3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173443
3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350054
4-(2-amino-2-oxoethoxy)-N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 55919848
N'-[2-(3-bromophenoxy)acetyl]-3,5-dimethoxybenzohydrazide
CID 7921241
N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide
CID 94051659
N-[2-(3-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide
CID 580265
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113101923
N-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 108539326
4-bromo-N-[3-[2-(3-bromophenoxy)ethylamino]-3-oxopropyl]benzamide
CID 60549507
3-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 104852569

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide (CID 113099639) is N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCOc2cccc(Br)c2)c1.
What is the InChIKey of N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide?
The InChIKey is CUMPWHZKKKGVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO4/c1-21-15-8-12(9-16(11-15)22-2)17(20)19-6-7-23-14-5-3-4-13(18)10-14/h3-5,8-11H,6-7H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide?
N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide has a molecular weight of 380.24 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 113099639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).