N-(3-amino-4-methoxyphenyl)-1-(4-bromophenyl)cyclobutane-1-carboxamide;hydrochloride

C18H20BrClN2O2 — CID 119420007

IUPACN-(3-amino-4-methoxyphenyl)-1-(4-bromophenyl)cyclobutane-1-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)C2(c3ccc(Br)cc3)CCC2)cc1N.Cl
InChIInChI=1S/C18H19BrN2O2.ClH/c1-23-16-8-7-14(11-15(16)20)21-17(22)18(9-2-10-18)12-3-5-13(19)6-4-12;/h3-8,11H,2,9-10,20H2,1H3,(H,21,22);1H
InChIKeyVKYDQPAMMZAOMO-UHFFFAOYSA-N
MW411.73 g/mol
LogP4.52
Rot. Bonds4

About N-(3-amino-4-methoxyphenyl)-1-(4-bromophenyl)cyclobutane-1-carboxamide;hydrochloride

N-(3-amino-4-methoxyphenyl)-1-(4-bromophenyl)cyclobutane-1-carboxamide;hydrochloride (PubChem CID 119420007) has the molecular formula C18H20BrClN2O2 and a molecular weight of 411.73 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-1-(4-bromophenyl)cyclobutane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-1-(4-bromophenyl)cyclobutane-1-carboxamide;hydrochloride
PubChem CID119420007
Molecular FormulaC18H20BrClN2O2
Molecular Weight411.73 g/mol
Exact Mass410.04
IUPAC NameN-(3-amino-4-methoxyphenyl)-1-(4-bromophenyl)cyclobutane-1-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)C2(c3ccc(Br)cc3)CCC2)cc1N.Cl
InChIInChI=1S/C18H19BrN2O2.ClH/c1-23-16-8-7-14(11-15(16)20)21-17(22)18(9-2-10-18)12-3-5-13(19)6-4-12;/h3-8,11H,2,9-10,20H2,1H3,(H,21,22);1H
InChIKeyVKYDQPAMMZAOMO-UHFFFAOYSA-N
XLogP4.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.73
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 119420158
N-(3-amino-4-methoxyphenyl)-4-(4-methylphenyl)oxane-4-carboxamide
CID 119419519
N-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 119420235
N-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)oxane-4-carboxamide
CID 29134635
methyl 4-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]benzoate
CID 18277869
N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439174
N-(3-amino-4-methoxyphenyl)-1-benzylcyclobutane-1-carboxamide;hydrochloride
CID 119420360
methyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100745550
methyl 2-methoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate
CID 100744030
N-(3-amino-4-methoxyphenyl)-4-(3-fluorophenyl)oxane-4-carboxamide
CID 119419472
1-acetamido-N-(3-amino-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 119418958
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674752

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-1-(4-bromophenyl)cyclobutane-1-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-1-(4-bromophenyl)cyclobutane-1-carboxamide;hydrochloride (CID 119420007) is N-(3-amino-4-methoxyphenyl)-1-(4-bromophenyl)cyclobutane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-1-(4-bromophenyl)cyclobutane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-1-(4-bromophenyl)cyclobutane-1-carboxamide;hydrochloride is COc1ccc(NC(=O)C2(c3ccc(Br)cc3)CCC2)cc1N.Cl.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-1-(4-bromophenyl)cyclobutane-1-carboxamide;hydrochloride?
The InChIKey is VKYDQPAMMZAOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2.ClH/c1-23-16-8-7-14(11-15(16)20)21-17(22)18(9-2-10-18)12-3-5-13(19)6-4-12;/h3-8,11H,2,9-10,20H2,1H3,(H,21,22);1H.
What are the key properties of N-(3-amino-4-methoxyphenyl)-1-(4-bromophenyl)cyclobutane-1-carboxamide;hydrochloride?
N-(3-amino-4-methoxyphenyl)-1-(4-bromophenyl)cyclobutane-1-carboxamide;hydrochloride has a molecular weight of 411.73 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-1-(4-bromophenyl)cyclobutane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119420007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).