4-chloro-N'-[(Z)-4-methylpent-2-en-3-yl]oxybenzenecarboximidamide

C13H17ClN2O — CID 146424602

IUPAC4-chloro-N'-[(Z)-4-methylpent-2-en-3-yl]oxybenzenecarboximidamide
SMILESC/C=C(\O/N=C(\N)c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C13H17ClN2O/c1-4-12(9(2)3)17-16-13(15)10-5-7-11(14)8-6-10/h4-9H,1-3H3,(H2,15,16)/b12-4-
InChIKeyIBDACVCWFNEAMS-QCDXTXTGSA-N
MW252.75 g/mol
LogP3.54
Rot. Bonds4

About 4-chloro-N'-[(Z)-4-methylpent-2-en-3-yl]oxybenzenecarboximidamide

4-chloro-N'-[(Z)-4-methylpent-2-en-3-yl]oxybenzenecarboximidamide (PubChem CID 146424602) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is 4-chloro-N'-[(Z)-4-methylpent-2-en-3-yl]oxybenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N'-[(Z)-4-methylpent-2-en-3-yl]oxybenzenecarboximidamide
PubChem CID146424602
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name4-chloro-N'-[(Z)-4-methylpent-2-en-3-yl]oxybenzenecarboximidamide
SMILESC/C=C(\O/N=C(\N)c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C13H17ClN2O/c1-4-12(9(2)3)17-16-13(15)10-5-7-11(14)8-6-10/h4-9H,1-3H3,(H2,15,16)/b12-4-
InChIKeyIBDACVCWFNEAMS-QCDXTXTGSA-N
XLogP3.54
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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

[(E)-[amino-(4-chlorophenyl)methylidene]amino] prop-2-enoate
CID 56805773
[(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-methylbenzoate
CID 5372333
[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-tert-butylphenoxy)propanoate
CID 2960848
[[amino-(4-chlorophenyl)methylidene]amino] 4-iodobenzoate
CID 2890265
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-chlorobenzoate
CID 19292058
[[amino-(4-bromophenyl)methylidene]amino] 4-chlorobenzoate
CID 2869302
[[amino-(4-chlorophenyl)methylidene]amino] 2-(3-methylphenoxy)propanoate
CID 3646582
4-chloro-N'-(4-chlorophenyl)benzenecarboximidamide
CID 11737167
[[amino-(4-methylphenyl)methylidene]amino] 2-(4-chlorophenoxy)acetate
CID 5000485
[[amino-(4-chlorophenyl)methylidene]amino] furan-2-carboxylate
CID 2276422
[[amino-(4-chlorophenyl)methylidene]amino] naphthalene-2-carboxylate
CID 2903183
[[amino-[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]amino] 2,2-dichloroacetate
CID 2726450

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[(Z)-4-methylpent-2-en-3-yl]oxybenzenecarboximidamide?
The IUPAC name of 4-chloro-N'-[(Z)-4-methylpent-2-en-3-yl]oxybenzenecarboximidamide (CID 146424602) is 4-chloro-N'-[(Z)-4-methylpent-2-en-3-yl]oxybenzenecarboximidamide.
What is the SMILES notation for 4-chloro-N'-[(Z)-4-methylpent-2-en-3-yl]oxybenzenecarboximidamide?
The canonical SMILES for 4-chloro-N'-[(Z)-4-methylpent-2-en-3-yl]oxybenzenecarboximidamide is C/C=C(\O/N=C(\N)c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 4-chloro-N'-[(Z)-4-methylpent-2-en-3-yl]oxybenzenecarboximidamide?
The InChIKey is IBDACVCWFNEAMS-QCDXTXTGSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-4-12(9(2)3)17-16-13(15)10-5-7-11(14)8-6-10/h4-9H,1-3H3,(H2,15,16)/b12-4-.
What are the key properties of 4-chloro-N'-[(Z)-4-methylpent-2-en-3-yl]oxybenzenecarboximidamide?
4-chloro-N'-[(Z)-4-methylpent-2-en-3-yl]oxybenzenecarboximidamide has a molecular weight of 252.75 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[(Z)-4-methylpent-2-en-3-yl]oxybenzenecarboximidamide is sourced from PubChem (CID 146424602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).