N-(5-bromo-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzamide

C19H21BrN2O3 — CID 55394956

IUPACN-(5-bromo-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)Nc1cc(Br)ccc1N1CCOCC1
InChIInChI=1S/C19H21BrN2O3/c1-13-3-6-18(24-2)15(11-13)19(23)21-16-12-14(20)4-5-17(16)22-7-9-25-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,21,23)
InChIKeyDTVSVYOKPZFWRD-UHFFFAOYSA-N
MW405.29 g/mol
LogP3.86
Rot. Bonds4

About N-(5-bromo-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzamide

N-(5-bromo-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzamide (PubChem CID 55394956) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is N-(5-bromo-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzamide
PubChem CID55394956
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC NameN-(5-bromo-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)Nc1cc(Br)ccc1N1CCOCC1
InChIInChI=1S/C19H21BrN2O3/c1-13-3-6-18(24-2)15(11-13)19(23)21-16-12-14(20)4-5-17(16)22-7-9-25-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,21,23)
InChIKeyDTVSVYOKPZFWRD-UHFFFAOYSA-N
XLogP3.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-morpholin-4-ylphenyl)-2,4-difluorobenzamide
CID 51182017
5-bromo-2-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 1290230
N-(5-amino-2-morpholin-4-ylphenyl)-2-methoxybenzamide
CID 91675331
2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide
CID 80974126
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 46813553
2,4,5-trimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 4857247
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)acetamide
CID 119833776
5-acetamido-N-(5-bromo-2-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 60566996
N-(2,4-dibromophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 16561045
N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 34054741
N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 55363665
N-(5-bromo-2-methoxyphenyl)-2-fluoro-5-methylbenzamide
CID 62515870

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzamide?
The IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzamide (CID 55394956) is N-(5-bromo-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-(5-bromo-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-(5-bromo-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzamide is COc1ccc(C)cc1C(=O)Nc1cc(Br)ccc1N1CCOCC1.
What is the InChIKey of N-(5-bromo-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzamide?
The InChIKey is DTVSVYOKPZFWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-13-3-6-18(24-2)15(11-13)19(23)21-16-12-14(20)4-5-17(16)22-7-9-25-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,21,23).
What are the key properties of N-(5-bromo-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzamide?
N-(5-bromo-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzamide has a molecular weight of 405.29 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 55394956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).