N-(butan-2-ylideneamino)-3-iodo-4-methoxybenzamide

C12H15IN2O2 — CID 932230

IUPACN-(butan-2-ylideneamino)-3-iodo-4-methoxybenzamide
SMILESCCC(C)=NNC(=O)c1ccc(OC)c(I)c1
InChIInChI=1S/C12H15IN2O2/c1-4-8(2)14-15-12(16)9-5-6-11(17-3)10(13)7-9/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyNZYUBSJJFRARSO-UHFFFAOYSA-N
MW346.17 g/mol
LogP2.82
Rot. Bonds4

About N-(butan-2-ylideneamino)-3-iodo-4-methoxybenzamide

N-(butan-2-ylideneamino)-3-iodo-4-methoxybenzamide (PubChem CID 932230) has the molecular formula C12H15IN2O2 and a molecular weight of 346.17 g/mol. Its IUPAC name is N-(butan-2-ylideneamino)-3-iodo-4-methoxybenzamide.

Molecular Properties

Compound NameN-(butan-2-ylideneamino)-3-iodo-4-methoxybenzamide
PubChem CID932230
Molecular FormulaC12H15IN2O2
Molecular Weight346.17 g/mol
Exact Mass346.02
IUPAC NameN-(butan-2-ylideneamino)-3-iodo-4-methoxybenzamide
SMILESCCC(C)=NNC(=O)c1ccc(OC)c(I)c1
InChIInChI=1S/C12H15IN2O2/c1-4-8(2)14-15-12(16)9-5-6-11(17-3)10(13)7-9/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyNZYUBSJJFRARSO-UHFFFAOYSA-N
XLogP2.82
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-4-methoxy-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6117993
3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6311607
3-iodo-N-[3-[(3-iodo-4-methoxybenzoyl)amino]propyl]-4-methoxybenzamide
CID 4981153
N-[(2R)-butan-2-yl]-3-iodo-4-methoxybenzamide
CID 41370948
3,4-dimethoxy-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide
CID 9232703
3,4-dimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide
CID 5146609
4-amino-N-[(Z)-butan-2-ylideneamino]benzamide
CID 5399430
3-iodo-4-methoxy-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6117559
N-(1-hydroxybutan-2-ylcarbamothioyl)-3-iodo-4-methoxybenzamide
CID 17162139
4-iodo-N-[[4-(2-methoxy-5-methylanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 3956236
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 136697673
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 135559989

Frequently Asked Questions

What is the IUPAC name of N-(butan-2-ylideneamino)-3-iodo-4-methoxybenzamide?
The IUPAC name of N-(butan-2-ylideneamino)-3-iodo-4-methoxybenzamide (CID 932230) is N-(butan-2-ylideneamino)-3-iodo-4-methoxybenzamide.
What is the SMILES notation for N-(butan-2-ylideneamino)-3-iodo-4-methoxybenzamide?
The canonical SMILES for N-(butan-2-ylideneamino)-3-iodo-4-methoxybenzamide is CCC(C)=NNC(=O)c1ccc(OC)c(I)c1.
What is the InChIKey of N-(butan-2-ylideneamino)-3-iodo-4-methoxybenzamide?
The InChIKey is NZYUBSJJFRARSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O2/c1-4-8(2)14-15-12(16)9-5-6-11(17-3)10(13)7-9/h5-7H,4H2,1-3H3,(H,15,16).
What are the key properties of N-(butan-2-ylideneamino)-3-iodo-4-methoxybenzamide?
N-(butan-2-ylideneamino)-3-iodo-4-methoxybenzamide has a molecular weight of 346.17 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butan-2-ylideneamino)-3-iodo-4-methoxybenzamide is sourced from PubChem (CID 932230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).