5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)naphthalene-1-carboxamide

C21H18BrClN2O2 — CID 1254482

IUPAC5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)naphthalene-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1N1CCOCC1)c1cccc2c(Br)cccc12
InChIInChI=1S/C21H18BrClN2O2/c22-17-7-2-4-14-15(17)5-1-6-16(14)21(26)24-19-9-3-8-18(23)20(19)25-10-12-27-13-11-25/h1-9H,10-13H2,(H,24,26)
InChIKeyRLERZMKHPBAVSL-UHFFFAOYSA-N
MW445.74 g/mol
LogP5.34
Rot. Bonds3

About 5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)naphthalene-1-carboxamide

5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)naphthalene-1-carboxamide (PubChem CID 1254482) has the molecular formula C21H18BrClN2O2 and a molecular weight of 445.74 g/mol. Its IUPAC name is 5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)naphthalene-1-carboxamide
PubChem CID1254482
Molecular FormulaC21H18BrClN2O2
Molecular Weight445.74 g/mol
Exact Mass444.02
IUPAC Name5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)naphthalene-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1N1CCOCC1)c1cccc2c(Br)cccc12
InChIInChI=1S/C21H18BrClN2O2/c22-17-7-2-4-14-15(17)5-1-6-16(14)21(26)24-19-9-3-8-18(23)20(19)25-10-12-27-13-11-25/h1-9H,10-13H2,(H,24,26)
InChIKeyRLERZMKHPBAVSL-UHFFFAOYSA-N
XLogP5.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.74
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromonaphthalene-1-carboxamide
CID 17177061
N-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 952438
2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide
CID 3968174
5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 1017993
N-(3-chloro-2-morpholin-4-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 131960632
3,4-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)benzamide
CID 3478748
5-chloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 4653783
3,5-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)-4-methoxybenzamide
CID 4029398
5-chloro-N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide
CID 17129047
6-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 118984847
N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 126811432
3-bromo-N-[(3-chloro-2-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 3312197

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)naphthalene-1-carboxamide?
The IUPAC name of 5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)naphthalene-1-carboxamide (CID 1254482) is 5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)naphthalene-1-carboxamide?
The canonical SMILES for 5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)naphthalene-1-carboxamide is O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cccc2c(Br)cccc12.
What is the InChIKey of 5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)naphthalene-1-carboxamide?
The InChIKey is RLERZMKHPBAVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrClN2O2/c22-17-7-2-4-14-15(17)5-1-6-16(14)21(26)24-19-9-3-8-18(23)20(19)25-10-12-27-13-11-25/h1-9H,10-13H2,(H,24,26).
What are the key properties of 5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)naphthalene-1-carboxamide?
5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)naphthalene-1-carboxamide has a molecular weight of 445.74 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 1254482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).