N-(4-bromo-2-methylphenyl)-3-propoxybenzamide

C17H18BrNO2 — CID 2293914

IUPACN-(4-bromo-2-methylphenyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(Br)cc2C)c1
InChIInChI=1S/C17H18BrNO2/c1-3-9-21-15-6-4-5-13(11-15)17(20)19-16-8-7-14(18)10-12(16)2/h4-8,10-11H,3,9H2,1-2H3,(H,19,20)
InChIKeyMFROFVPMUFHEMY-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.80
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-3-propoxybenzamide

N-(4-bromo-2-methylphenyl)-3-propoxybenzamide (PubChem CID 2293914) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-3-propoxybenzamide
PubChem CID2293914
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC NameN-(4-bromo-2-methylphenyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(Br)cc2C)c1
InChIInChI=1S/C17H18BrNO2/c1-3-9-21-15-6-4-5-13(11-15)17(20)19-16-8-7-14(18)10-12(16)2/h4-8,10-11H,3,9H2,1-2H3,(H,19,20)
InChIKeyMFROFVPMUFHEMY-UHFFFAOYSA-N
XLogP4.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-2-methylphenyl)-3-propoxybenzamide 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

N-(3-bromo-4-methylphenyl)-3-propoxybenzamide
CID 63529162
N-(4-bromo-2-methylphenyl)-3-cyanobenzamide
CID 18777750
N-[(4-bromo-2-fluorophenyl)carbamothioyl]-3-propoxybenzamide
CID 22775772
3-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 23733721
N-(2-chloro-4-hydroxyphenyl)-3-propoxybenzamide
CID 64789293
N-(4-methyl-1H-pyrazol-5-yl)-3-propoxybenzamide
CID 112691324
3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4586964
N-[2-methyl-4-[(3-propoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 21213342
N-(4-bromo-2-iodophenyl)-4-propoxybenzamide
CID 3888317
N-(4-benzamido-3-methylphenyl)-4-propoxybenzamide
CID 2288044
N-[2-(methanesulfonamido)phenyl]-3-propoxybenzamide
CID 51088953
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-3-propoxybenzamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-3-propoxybenzamide (CID 2293914) is N-(4-bromo-2-methylphenyl)-3-propoxybenzamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-3-propoxybenzamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-3-propoxybenzamide is CCCOc1cccc(C(=O)Nc2ccc(Br)cc2C)c1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-3-propoxybenzamide?
The InChIKey is MFROFVPMUFHEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-3-9-21-15-6-4-5-13(11-15)17(20)19-16-8-7-14(18)10-12(16)2/h4-8,10-11H,3,9H2,1-2H3,(H,19,20).
What are the key properties of N-(4-bromo-2-methylphenyl)-3-propoxybenzamide?
N-(4-bromo-2-methylphenyl)-3-propoxybenzamide has a molecular weight of 348.24 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-3-propoxybenzamide is sourced from PubChem (CID 2293914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).