4-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methoxynaphthalene-2-carboxamide

C22H20BrClN2O3 — CID 17117728

IUPAC4-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methoxynaphthalene-2-carboxamide
SMILESCOc1c(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc2ccccc2c1Br
InChIInChI=1S/C22H20BrClN2O3/c1-28-21-17(12-14-4-2-3-5-16(14)20(21)23)22(27)25-18-13-15(24)6-7-19(18)26-8-10-29-11-9-26/h2-7,12-13H,8-11H2,1H3,(H,25,27)
InChIKeyBQDNJAFUUCJFSM-UHFFFAOYSA-N
MW475.77 g/mol
LogP5.35
Rot. Bonds4

About 4-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methoxynaphthalene-2-carboxamide

4-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methoxynaphthalene-2-carboxamide (PubChem CID 17117728) has the molecular formula C22H20BrClN2O3 and a molecular weight of 475.77 g/mol. Its IUPAC name is 4-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methoxynaphthalene-2-carboxamide
PubChem CID17117728
Molecular FormulaC22H20BrClN2O3
Molecular Weight475.77 g/mol
Exact Mass474.03
IUPAC Name4-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methoxynaphthalene-2-carboxamide
SMILESCOc1c(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc2ccccc2c1Br
InChIInChI=1S/C22H20BrClN2O3/c1-28-21-17(12-14-4-2-3-5-16(14)20(21)23)22(27)25-18-13-15(24)6-7-19(18)26-8-10-29-11-9-26/h2-7,12-13H,8-11H2,1H3,(H,25,27)
InChIKeyBQDNJAFUUCJFSM-UHFFFAOYSA-N
XLogP5.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.77
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 4020087
methyl 4-(4-benzoylpiperazin-1-yl)-3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 17091850
4-bromo-3-methoxy-N-(2,4,5-trichlorophenyl)naphthalene-2-carboxamide
CID 17111249
N-(5-chloro-2-methoxyphenyl)-2-morpholin-4-ylbenzamide
CID 48980598
N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide
CID 4034494
4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide
CID 38910526
N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-2-methoxy-3-methylbenzamide
CID 1257332
4-bromo-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 95733480
4-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 50882559
N-(5-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-3-methylbenzamide
CID 112809703
4-bromo-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 17358416
2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide
CID 55386691

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of 4-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methoxynaphthalene-2-carboxamide (CID 17117728) is 4-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for 4-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methoxynaphthalene-2-carboxamide is COc1c(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc2ccccc2c1Br.
What is the InChIKey of 4-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methoxynaphthalene-2-carboxamide?
The InChIKey is BQDNJAFUUCJFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrClN2O3/c1-28-21-17(12-14-4-2-3-5-16(14)20(21)23)22(27)25-18-13-15(24)6-7-19(18)26-8-10-29-11-9-26/h2-7,12-13H,8-11H2,1H3,(H,25,27).
What are the key properties of 4-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methoxynaphthalene-2-carboxamide?
4-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methoxynaphthalene-2-carboxamide has a molecular weight of 475.77 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 17117728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).