3-(4-bromophenoxy)-N-methylbenzamide

C14H12BrNO2 — CID 169337021

IUPAC3-(4-bromophenoxy)-N-methylbenzamide
SMILESCNC(=O)c1cccc(Oc2ccc(Br)cc2)c1
InChIInChI=1S/C14H12BrNO2/c1-16-14(17)10-3-2-4-13(9-10)18-12-7-5-11(15)6-8-12/h2-9H,1H3,(H,16,17)
InChIKeyVSCGPEVFFHBXPN-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.60
Rot. Bonds3

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

3-(4-bromophenoxy)-N-methylbenzamide (PubChem CID 169337021) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 3-(4-bromophenoxy)-N-methylbenzamide.

Molecular Properties

Compound Name3-(4-bromophenoxy)-N-methylbenzamide
PubChem CID169337021
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name3-(4-bromophenoxy)-N-methylbenzamide
SMILESCNC(=O)c1cccc(Oc2ccc(Br)cc2)c1
InChIInChI=1S/C14H12BrNO2/c1-16-14(17)10-3-2-4-13(9-10)18-12-7-5-11(15)6-8-12/h2-9H,1H3,(H,16,17)
InChIKeyVSCGPEVFFHBXPN-UHFFFAOYSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-bromophenoxy)-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-bromophenoxy)-N-ethylbenzamide
CID 12941905
N-(4-bromophenyl)-3-phenoxybenzamide
CID 1318843
(4-bromophenyl) 3-phenoxybenzoate
CID 7900834
3-amino-4-(4-bromophenoxy)-N-methylbenzamide
CID 82999872
[3-[3-(methylcarbamoyl)phenoxy]phenyl]-propan-2-ylcarbamic acid
CID 175210839
N-methyl-3-(2-methylphenoxy)benzamide
CID 143860787
3-[4-[(3-chloro-2-hydroxypropyl)amino]phenoxy]-N-methylbenzamide
CID 168639757
3-[[2-(4-bromoanilino)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-methylbenzamide
CID 42642188
[3-(4-bromophenoxy)phenyl]carbamic acid
CID 138629295
3-(6-bromonaphthalen-2-yl)oxybenzoic acid
CID 63941501
3-(4-fluorophenoxy)-N-propan-2-ylbenzamide
CID 12941904
2-[3-(4-bromophenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile
CID 3284313

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)-N-methylbenzamide?
The IUPAC name of 3-(4-bromophenoxy)-N-methylbenzamide (CID 169337021) is 3-(4-bromophenoxy)-N-methylbenzamide.
What is the SMILES notation for 3-(4-bromophenoxy)-N-methylbenzamide?
The canonical SMILES for 3-(4-bromophenoxy)-N-methylbenzamide is CNC(=O)c1cccc(Oc2ccc(Br)cc2)c1.
What is the InChIKey of 3-(4-bromophenoxy)-N-methylbenzamide?
The InChIKey is VSCGPEVFFHBXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-16-14(17)10-3-2-4-13(9-10)18-12-7-5-11(15)6-8-12/h2-9H,1H3,(H,16,17).
What are the key properties of 3-(4-bromophenoxy)-N-methylbenzamide?
3-(4-bromophenoxy)-N-methylbenzamide has a molecular weight of 306.16 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenoxy)-N-methylbenzamide is sourced from PubChem (CID 169337021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).