methyl 3-(4-bromophenyl)-3-[(5-chloro-2-hydroxybenzoyl)amino]propanoate

C17H15BrClNO4 — CID 68869406

IUPACmethyl 3-(4-bromophenyl)-3-[(5-chloro-2-hydroxybenzoyl)amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1cc(Cl)ccc1O)c1ccc(Br)cc1
InChIInChI=1S/C17H15BrClNO4/c1-24-16(22)9-14(10-2-4-11(18)5-3-10)20-17(23)13-8-12(19)6-7-15(13)21/h2-8,14,21H,9H2,1H3,(H,20,23)
InChIKeyZDRIBUFJZRFPQD-UHFFFAOYSA-N
MW412.67 g/mol
LogP3.84
Rot. Bonds5

About methyl 3-(4-bromophenyl)-3-[(5-chloro-2-hydroxybenzoyl)amino]propanoate

methyl 3-(4-bromophenyl)-3-[(5-chloro-2-hydroxybenzoyl)amino]propanoate (PubChem CID 68869406) has the molecular formula C17H15BrClNO4 and a molecular weight of 412.67 g/mol. Its IUPAC name is methyl 3-(4-bromophenyl)-3-[(5-chloro-2-hydroxybenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(4-bromophenyl)-3-[(5-chloro-2-hydroxybenzoyl)amino]propanoate
PubChem CID68869406
Molecular FormulaC17H15BrClNO4
Molecular Weight412.67 g/mol
Exact Mass410.99
IUPAC Namemethyl 3-(4-bromophenyl)-3-[(5-chloro-2-hydroxybenzoyl)amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1cc(Cl)ccc1O)c1ccc(Br)cc1
InChIInChI=1S/C17H15BrClNO4/c1-24-16(22)9-14(10-2-4-11(18)5-3-10)20-17(23)13-8-12(19)6-7-15(13)21/h2-8,14,21H,9H2,1H3,(H,20,23)
InChIKeyZDRIBUFJZRFPQD-UHFFFAOYSA-N
XLogP3.84
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.67
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-(4-bromophenyl)-3-[(5-chloro-2-hydroxybenzoyl)amino]propanoate 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

methyl 3-[(5-bromo-2-fluorobenzoyl)amino]-3-(4-chlorophenyl)propanoate
CID 55439318
methyl 3-[(5-bromo-2-hydroxybenzoyl)amino]-3-[4-(4-phenoxyphenyl)phenyl]propanoate
CID 69205220
methyl 3-[(2-bromo-5-methoxybenzoyl)amino]-3-(4-chlorophenyl)propanoate
CID 55369954
methyl 3-(4-bromophenyl)-3-[(5-chlorofuran-2-carbonyl)amino]propanoate
CID 51314456
N-[1-(4-bromophenyl)propyl]-5-chloro-2-fluorobenzamide
CID 60674486
methyl (3S)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11391194
methyl (3S)-3-(4-chlorophenyl)-3-[(2-methoxybenzoyl)amino]propanoate
CID 40813309
5-bromo-N-[1-(4-chlorophenyl)ethyl]-2-hydroxybenzamide
CID 103600185
ethyl (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 7310541
methyl 3-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60520015
methyl (3S)-3-(4-bromophenyl)-3-[[2-(methylamino)acetyl]amino]propanoate
CID 124687173
methyl 3-(4-bromophenyl)-3-(naphthalene-2-carbonylamino)propanoate
CID 134015803

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-bromophenyl)-3-[(5-chloro-2-hydroxybenzoyl)amino]propanoate?
The IUPAC name of methyl 3-(4-bromophenyl)-3-[(5-chloro-2-hydroxybenzoyl)amino]propanoate (CID 68869406) is methyl 3-(4-bromophenyl)-3-[(5-chloro-2-hydroxybenzoyl)amino]propanoate.
What is the SMILES notation for methyl 3-(4-bromophenyl)-3-[(5-chloro-2-hydroxybenzoyl)amino]propanoate?
The canonical SMILES for methyl 3-(4-bromophenyl)-3-[(5-chloro-2-hydroxybenzoyl)amino]propanoate is COC(=O)CC(NC(=O)c1cc(Cl)ccc1O)c1ccc(Br)cc1.
What is the InChIKey of methyl 3-(4-bromophenyl)-3-[(5-chloro-2-hydroxybenzoyl)amino]propanoate?
The InChIKey is ZDRIBUFJZRFPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClNO4/c1-24-16(22)9-14(10-2-4-11(18)5-3-10)20-17(23)13-8-12(19)6-7-15(13)21/h2-8,14,21H,9H2,1H3,(H,20,23).
What are the key properties of methyl 3-(4-bromophenyl)-3-[(5-chloro-2-hydroxybenzoyl)amino]propanoate?
methyl 3-(4-bromophenyl)-3-[(5-chloro-2-hydroxybenzoyl)amino]propanoate has a molecular weight of 412.67 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-bromophenyl)-3-[(5-chloro-2-hydroxybenzoyl)amino]propanoate is sourced from PubChem (CID 68869406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).