2-(5-bromo-2-methoxyanilino)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide

C18H19BrN2O3 — CID 86826326

IUPAC2-(5-bromo-2-methoxyanilino)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESCOc1ccc(Br)cc1NCC(=O)NC1CCOc2ccccc21
InChIInChI=1S/C18H19BrN2O3/c1-23-17-7-6-12(19)10-15(17)20-11-18(22)21-14-8-9-24-16-5-3-2-4-13(14)16/h2-7,10,14,20H,8-9,11H2,1H3,(H,21,22)
InChIKeyRTNFNWJYNRJWRS-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.51
Rot. Bonds5

About 2-(5-bromo-2-methoxyanilino)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide

2-(5-bromo-2-methoxyanilino)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide (PubChem CID 86826326) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyanilino)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyanilino)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
PubChem CID86826326
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name2-(5-bromo-2-methoxyanilino)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESCOc1ccc(Br)cc1NCC(=O)NC1CCOc2ccccc21
InChIInChI=1S/C18H19BrN2O3/c1-23-17-7-6-12(19)10-15(17)20-11-18(22)21-14-8-9-24-16-5-3-2-4-13(14)16/h2-7,10,14,20H,8-9,11H2,1H3,(H,21,22)
InChIKeyRTNFNWJYNRJWRS-UHFFFAOYSA-N
XLogP3.51
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-2-methoxyanilino)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide 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-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide
CID 8819799
4-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 45397810
2-(5-bromo-2-methoxyanilino)-N-(2-methoxyphenyl)acetamide
CID 87030481
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 46828754
2-(2-bromo-4-methylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18196743
N-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 86826322
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 40938536
N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 46606057
N-[(4S)-6-bromo-3,4-dihydro-2H-chromen-4-yl]-2-chloroacetamide
CID 167888581
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-5-methoxypentanamide
CID 86872157
N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide
CID 18115323
N-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methoxyphenyl)propanamide
CID 110750844

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyanilino)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The IUPAC name of 2-(5-bromo-2-methoxyanilino)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide (CID 86826326) is 2-(5-bromo-2-methoxyanilino)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-methoxyanilino)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The canonical SMILES for 2-(5-bromo-2-methoxyanilino)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide is COc1ccc(Br)cc1NCC(=O)NC1CCOc2ccccc21.
What is the InChIKey of 2-(5-bromo-2-methoxyanilino)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The InChIKey is RTNFNWJYNRJWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-23-17-7-6-12(19)10-15(17)20-11-18(22)21-14-8-9-24-16-5-3-2-4-13(14)16/h2-7,10,14,20H,8-9,11H2,1H3,(H,21,22).
What are the key properties of 2-(5-bromo-2-methoxyanilino)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
2-(5-bromo-2-methoxyanilino)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide has a molecular weight of 391.27 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyanilino)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide is sourced from PubChem (CID 86826326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).