N'-(2-bromo-4-methoxyphenyl)benzenecarboximidamide

C14H13BrN2O — CID 154719104

IUPACN'-(2-bromo-4-methoxyphenyl)benzenecarboximidamide
SMILESCOc1ccc(/N=C(\N)c2ccccc2)c(Br)c1
InChIInChI=1S/C14H13BrN2O/c1-18-11-7-8-13(12(15)9-11)17-14(16)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17)
InChIKeyHHXFZVZFMUNEEA-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.49
Rot. Bonds3

About N'-(2-bromo-4-methoxyphenyl)benzenecarboximidamide

N'-(2-bromo-4-methoxyphenyl)benzenecarboximidamide (PubChem CID 154719104) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is N'-(2-bromo-4-methoxyphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(2-bromo-4-methoxyphenyl)benzenecarboximidamide
PubChem CID154719104
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC NameN'-(2-bromo-4-methoxyphenyl)benzenecarboximidamide
SMILESCOc1ccc(/N=C(\N)c2ccccc2)c(Br)c1
InChIInChI=1S/C14H13BrN2O/c1-18-11-7-8-13(12(15)9-11)17-14(16)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17)
InChIKeyHHXFZVZFMUNEEA-UHFFFAOYSA-N
XLogP3.49
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N'-phenylbenzenecarboximidamide
CID 70654752
2-(2-bromo-4-methoxyphenyl)imino-1,2-dinaphthalen-2-ylethanone
CID 154710815
N'-[4-bromo-2,6-di(propan-2-yl)phenyl]-3-methoxybenzenecarboximidamide
CID 121409859
N'-(3,4-dimethoxyphenyl)benzenecarboximidamide
CID 24834403
[[amino(phenyl)methylidene]amino] 4-methoxybenzoate
CID 2841874
[(E)-[amino(phenyl)methylidene]amino] 3,5-dimethoxybenzoate
CID 40528949
N'-[2-(4-methoxyphenyl)ethyl]benzenecarboximidamide
CID 62048855
N'-methoxybenzenecarboximidamide
CID 10678407
4-[[amino-(4-methoxyphenyl)methylidene]amino]benzoic acid
CID 142079900
3-(2-bromo-5-methoxyphenyl)-1-phenylpropan-1-one
CID 11392992
2-(2-bromo-5-methoxyphenyl)-2-hydroxy-1-phenylethanone
CID 150726546
3-(2-bromo-5-methoxyphenyl)-1-phenylpropane-1,2-dione
CID 141009493

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromo-4-methoxyphenyl)benzenecarboximidamide?
The IUPAC name of N'-(2-bromo-4-methoxyphenyl)benzenecarboximidamide (CID 154719104) is N'-(2-bromo-4-methoxyphenyl)benzenecarboximidamide.
What is the SMILES notation for N'-(2-bromo-4-methoxyphenyl)benzenecarboximidamide?
The canonical SMILES for N'-(2-bromo-4-methoxyphenyl)benzenecarboximidamide is COc1ccc(/N=C(\N)c2ccccc2)c(Br)c1.
What is the InChIKey of N'-(2-bromo-4-methoxyphenyl)benzenecarboximidamide?
The InChIKey is HHXFZVZFMUNEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-18-11-7-8-13(12(15)9-11)17-14(16)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17).
What are the key properties of N'-(2-bromo-4-methoxyphenyl)benzenecarboximidamide?
N'-(2-bromo-4-methoxyphenyl)benzenecarboximidamide has a molecular weight of 305.18 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromo-4-methoxyphenyl)benzenecarboximidamide is sourced from PubChem (CID 154719104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).