N-(3-bromophenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide

C21H23BrN2O4 — CID 84565965

IUPACN-(3-bromophenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
SMILESCOc1ccccc1OCC(=O)N(CCC(=O)Nc1cccc(Br)c1)C1CC1
InChIInChI=1S/C21H23BrN2O4/c1-27-18-7-2-3-8-19(18)28-14-21(26)24(17-9-10-17)12-11-20(25)23-16-6-4-5-15(22)13-16/h2-8,13,17H,9-12,14H2,1H3,(H,23,25)
InChIKeyLCEISRXDNJMNNM-UHFFFAOYSA-N
MW447.33 g/mol
LogP3.86
Rot. Bonds9

About N-(3-bromophenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide

N-(3-bromophenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide (PubChem CID 84565965) has the molecular formula C21H23BrN2O4 and a molecular weight of 447.33 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
PubChem CID84565965
Molecular FormulaC21H23BrN2O4
Molecular Weight447.33 g/mol
Exact Mass446.08
IUPAC NameN-(3-bromophenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
SMILESCOc1ccccc1OCC(=O)N(CCC(=O)Nc1cccc(Br)c1)C1CC1
InChIInChI=1S/C21H23BrN2O4/c1-27-18-7-2-3-8-19(18)28-14-21(26)24(17-9-10-17)12-11-20(25)23-16-6-4-5-15(22)13-16/h2-8,13,17H,9-12,14H2,1H3,(H,23,25)
InChIKeyLCEISRXDNJMNNM-UHFFFAOYSA-N
XLogP3.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-bromophenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide 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

propyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoate
CID 84566637
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-fluorophenyl)propanamide
CID 84565960
4-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoic acid
CID 84566625
5-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]-2-hydroxybenzoic acid
CID 84566023
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 60843698
N-(5-acetamido-2-ethylphenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 84566672
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 84566029
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 84566682
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-hydroxycyclohexyl)propanamide
CID 84565814
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 84564048
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-pentylpropanamide
CID 84565149
2-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]-2-phenylacetic acid
CID 84565799

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide?
The IUPAC name of N-(3-bromophenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide (CID 84565965) is N-(3-bromophenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide.
What is the SMILES notation for N-(3-bromophenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide?
The canonical SMILES for N-(3-bromophenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide is COc1ccccc1OCC(=O)N(CCC(=O)Nc1cccc(Br)c1)C1CC1.
What is the InChIKey of N-(3-bromophenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide?
The InChIKey is LCEISRXDNJMNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O4/c1-27-18-7-2-3-8-19(18)28-14-21(26)24(17-9-10-17)12-11-20(25)23-16-6-4-5-15(22)13-16/h2-8,13,17H,9-12,14H2,1H3,(H,23,25).
What are the key properties of N-(3-bromophenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide?
N-(3-bromophenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide has a molecular weight of 447.33 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide is sourced from PubChem (CID 84565965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).