N'-amino-3-chloro-4-methoxybenzenecarboximidamide

C8H10ClN3O — CID 77052841

IUPACN'-amino-3-chloro-4-methoxybenzenecarboximidamide
SMILESCOc1ccc(C(N)=NN)cc1Cl
InChIInChI=1S/C8H10ClN3O/c1-13-7-3-2-5(4-6(7)9)8(10)12-11/h2-4H,11H2,1H3,(H2,10,12)
InChIKeyYWTOHCCHUODZCJ-UHFFFAOYSA-N
MW199.64 g/mol
LogP0.93
Rot. Bonds2

About N'-amino-3-chloro-4-methoxybenzenecarboximidamide

N'-amino-3-chloro-4-methoxybenzenecarboximidamide (PubChem CID 77052841) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is N'-amino-3-chloro-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-3-chloro-4-methoxybenzenecarboximidamide
PubChem CID77052841
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC NameN'-amino-3-chloro-4-methoxybenzenecarboximidamide
SMILESCOc1ccc(C(N)=NN)cc1Cl
InChIInChI=1S/C8H10ClN3O/c1-13-7-3-2-5(4-6(7)9)8(10)12-11/h2-4H,11H2,1H3,(H2,10,12)
InChIKeyYWTOHCCHUODZCJ-UHFFFAOYSA-N
XLogP0.93
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[amino(methyl)amino]-3-chloro-4-methoxybenzenecarboximidamide
CID 143625648
1-(3-chloro-4-methoxyphenyl)-2-methyl-3-methyliminoprop-1-en-1-amine
CID 153072118
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
N'-amino-4-chloro-3-propan-2-yloxybenzenecarboximidamide;hydrochloride
CID 175806924
N'-amino-4-methoxybenzenecarboximidamide
CID 54365169
3-chloro-N'-hydroxy-4-propan-2-yloxybenzenecarboximidamide
CID 59556565
[[amino-(3,4-dimethoxyphenyl)methylidene]amino] 3-chloro-4-methylbenzoate
CID 2911087
3-chloro-N'-hydroxy-4-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 76984471
2-(3-chloro-4-methoxyphenyl)prop-2-enenitrile
CID 82075902
2-chloro-1-methoxy-4-(1-phenylethenyl)benzene
CID 71342253
2-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]acetamide
CID 62052942
2-amino-1-(3-chloro-4-methoxyphenyl)-3-hydroxypropan-1-one
CID 116920607

Frequently Asked Questions

What is the IUPAC name of N'-amino-3-chloro-4-methoxybenzenecarboximidamide?
The IUPAC name of N'-amino-3-chloro-4-methoxybenzenecarboximidamide (CID 77052841) is N'-amino-3-chloro-4-methoxybenzenecarboximidamide.
What is the SMILES notation for N'-amino-3-chloro-4-methoxybenzenecarboximidamide?
The canonical SMILES for N'-amino-3-chloro-4-methoxybenzenecarboximidamide is COc1ccc(C(N)=NN)cc1Cl.
What is the InChIKey of N'-amino-3-chloro-4-methoxybenzenecarboximidamide?
The InChIKey is YWTOHCCHUODZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O/c1-13-7-3-2-5(4-6(7)9)8(10)12-11/h2-4H,11H2,1H3,(H2,10,12).
What are the key properties of N'-amino-3-chloro-4-methoxybenzenecarboximidamide?
N'-amino-3-chloro-4-methoxybenzenecarboximidamide has a molecular weight of 199.64 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-3-chloro-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 77052841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).