3-amino-N-(5-bromo-2-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;dihydrochloride

C17H26BrCl2N3O2 — CID 119833773

IUPAC3-amino-N-(5-bromo-2-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCCC(C(=O)Nc2cc(Br)ccc2N2CCOCC2)C1
InChIInChI=1S/C17H24BrN3O2.2ClH/c18-13-4-5-16(21-6-8-23-9-7-21)15(11-13)20-17(22)12-2-1-3-14(19)10-12;;/h4-5,11-12,14H,1-3,6-10,19H2,(H,20,22);2*1H
InChIKeyYNNAWDKKYNZFIA-UHFFFAOYSA-N
MW455.22 g/mol
LogP3.59
Rot. Bonds3

About 3-amino-N-(5-bromo-2-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;dihydrochloride

3-amino-N-(5-bromo-2-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119833773) has the molecular formula C17H26BrCl2N3O2 and a molecular weight of 455.22 g/mol. Its IUPAC name is 3-amino-N-(5-bromo-2-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(5-bromo-2-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119833773
Molecular FormulaC17H26BrCl2N3O2
Molecular Weight455.22 g/mol
Exact Mass453.06
IUPAC Name3-amino-N-(5-bromo-2-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCCC(C(=O)Nc2cc(Br)ccc2N2CCOCC2)C1
InChIInChI=1S/C17H24BrN3O2.2ClH/c18-13-4-5-16(21-6-8-23-9-7-21)15(11-13)20-17(22)12-2-1-3-14(19)10-12;;/h4-5,11-12,14H,1-3,6-10,19H2,(H,20,22);2*1H
InChIKeyYNNAWDKKYNZFIA-UHFFFAOYSA-N
XLogP3.59
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.22
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120640206
N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide
CID 47109483
2-[(3-aminocyclohexanecarbonyl)amino]-5-bromobenzoic acid
CID 63046627
3-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 63042143
2-amino-N-(5-bromo-2-morpholin-4-ylphenyl)propanamide;dihydrochloride
CID 119833777
1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119870586
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide
CID 3938418
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 7551095
1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide
CID 119870587
3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673269
N-(5-bromo-2-morpholin-4-ylphenyl)morpholine-2-carboxamide
CID 119833788
N-(5-bromo-2-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide
CID 119833790

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromo-2-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-(5-bromo-2-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;dihydrochloride (CID 119833773) is 3-amino-N-(5-bromo-2-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(5-bromo-2-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(5-bromo-2-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;dihydrochloride is Cl.Cl.NC1CCCC(C(=O)Nc2cc(Br)ccc2N2CCOCC2)C1.
What is the InChIKey of 3-amino-N-(5-bromo-2-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is YNNAWDKKYNZFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O2.2ClH/c18-13-4-5-16(21-6-8-23-9-7-21)15(11-13)20-17(22)12-2-1-3-14(19)10-12;;/h4-5,11-12,14H,1-3,6-10,19H2,(H,20,22);2*1H.
What are the key properties of 3-amino-N-(5-bromo-2-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;dihydrochloride?
3-amino-N-(5-bromo-2-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 455.22 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-bromo-2-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119833773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).