6-bromo-N-(2-morpholin-4-yl-2-phenylethyl)-4-oxochromene-2-carboxamide

C22H21BrN2O4 — CID 45155279

IUPAC6-bromo-N-(2-morpholin-4-yl-2-phenylethyl)-4-oxochromene-2-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCOCC1)c1cc(=O)c2cc(Br)ccc2o1
InChIInChI=1S/C22H21BrN2O4/c23-16-6-7-20-17(12-16)19(26)13-21(29-20)22(27)24-14-18(15-4-2-1-3-5-15)25-8-10-28-11-9-25/h1-7,12-13,18H,8-11,14H2,(H,24,27)
InChIKeySZMMROLORPGTKK-UHFFFAOYSA-N
MW457.32 g/mol
LogP3.36
Rot. Bonds5

About 6-bromo-N-(2-morpholin-4-yl-2-phenylethyl)-4-oxochromene-2-carboxamide

6-bromo-N-(2-morpholin-4-yl-2-phenylethyl)-4-oxochromene-2-carboxamide (PubChem CID 45155279) has the molecular formula C22H21BrN2O4 and a molecular weight of 457.32 g/mol. Its IUPAC name is 6-bromo-N-(2-morpholin-4-yl-2-phenylethyl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-morpholin-4-yl-2-phenylethyl)-4-oxochromene-2-carboxamide
PubChem CID45155279
Molecular FormulaC22H21BrN2O4
Molecular Weight457.32 g/mol
Exact Mass456.07
IUPAC Name6-bromo-N-(2-morpholin-4-yl-2-phenylethyl)-4-oxochromene-2-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCOCC1)c1cc(=O)c2cc(Br)ccc2o1
InChIInChI=1S/C22H21BrN2O4/c23-16-6-7-20-17(12-16)19(26)13-21(29-20)22(27)24-14-18(15-4-2-1-3-5-15)25-8-10-28-11-9-25/h1-7,12-13,18H,8-11,14H2,(H,24,27)
InChIKeySZMMROLORPGTKK-UHFFFAOYSA-N
XLogP3.36
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-bromo-N-(2-morpholin-4-yl-2-phenylethyl)-4-oxochromene-2-carboxamide 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

6-chloro-N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 45155230
7-bromo-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide
CID 35576051
6-ethyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-oxochromene-2-carboxamide
CID 35574653
6-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 43843758
6-ethyl-4-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-2-carboxamide
CID 45155475
5-chloro-N-(2-morpholin-4-yl-2-phenylethyl)furan-2-carboxamide
CID 86922955
7-bromo-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 35575759
7-bromo-N-[2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide;hydrochloride
CID 52988347
N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6-chloro-7-methyl-4-oxochromene-2-carboxamide
CID 45155229
6-ethyl-N-[2-(4-ethylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 50751394
6-ethyl-N-[(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 35671586
7-bromo-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 35575863

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-morpholin-4-yl-2-phenylethyl)-4-oxochromene-2-carboxamide?
The IUPAC name of 6-bromo-N-(2-morpholin-4-yl-2-phenylethyl)-4-oxochromene-2-carboxamide (CID 45155279) is 6-bromo-N-(2-morpholin-4-yl-2-phenylethyl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-morpholin-4-yl-2-phenylethyl)-4-oxochromene-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2-morpholin-4-yl-2-phenylethyl)-4-oxochromene-2-carboxamide is O=C(NCC(c1ccccc1)N1CCOCC1)c1cc(=O)c2cc(Br)ccc2o1.
What is the InChIKey of 6-bromo-N-(2-morpholin-4-yl-2-phenylethyl)-4-oxochromene-2-carboxamide?
The InChIKey is SZMMROLORPGTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O4/c23-16-6-7-20-17(12-16)19(26)13-21(29-20)22(27)24-14-18(15-4-2-1-3-5-15)25-8-10-28-11-9-25/h1-7,12-13,18H,8-11,14H2,(H,24,27).
What are the key properties of 6-bromo-N-(2-morpholin-4-yl-2-phenylethyl)-4-oxochromene-2-carboxamide?
6-bromo-N-(2-morpholin-4-yl-2-phenylethyl)-4-oxochromene-2-carboxamide has a molecular weight of 457.32 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-morpholin-4-yl-2-phenylethyl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 45155279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).