N-cyano-2-iodo-N-methylbenzamide

C9H7IN2O — CID 130884636

IUPACN-cyano-2-iodo-N-methylbenzamide
SMILESCN(C#N)C(=O)c1ccccc1I
InChIInChI=1S/C9H7IN2O/c1-12(6-11)9(13)7-4-2-3-5-8(7)10/h2-5H,1H3
InChIKeyVNMPXTZWOXMFQP-UHFFFAOYSA-N
MW286.07 g/mol
LogP1.84
Rot. Bonds1

About N-cyano-2-iodo-N-methylbenzamide

N-cyano-2-iodo-N-methylbenzamide (PubChem CID 130884636) has the molecular formula C9H7IN2O and a molecular weight of 286.07 g/mol. Its IUPAC name is N-cyano-2-iodo-N-methylbenzamide.

Molecular Properties

Compound NameN-cyano-2-iodo-N-methylbenzamide
PubChem CID130884636
Molecular FormulaC9H7IN2O
Molecular Weight286.07 g/mol
Exact Mass285.96
IUPAC NameN-cyano-2-iodo-N-methylbenzamide
SMILESCN(C#N)C(=O)c1ccccc1I
InChIInChI=1S/C9H7IN2O/c1-12(6-11)9(13)7-4-2-3-5-8(7)10/h2-5H,1H3
InChIKeyVNMPXTZWOXMFQP-UHFFFAOYSA-N
XLogP1.84
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.07
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(cyanomethyl)-2-iodobenzamide
CID 615773
N-but-2-ynyl-2-iodo-N-methylbenzamide
CID 14943568
N-(3-aminopropyl)-2-iodo-N-methylbenzamide
CID 81483846
2-iodo-N-methyl-N-(1-phenylethyl)benzamide
CID 60655087
methyl (2S)-2-[(2-iodobenzoyl)-methylamino]propanoate
CID 100647713
N-(5-hydroxypentyl)-2-iodo-N-methylbenzamide
CID 107199930
2-iodo-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112692105
2-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 61381239
2-bromo-N-cyano-N-methylfuran-3-carboxamide
CID 130615092
2-bromo-3-iodo-N,N-dimethylbenzamide
CID 171921432
2-[carboxymethyl-(2-iodobenzoyl)amino]acetic acid
CID 63651599
N-[(2,3-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide
CID 60628160

Frequently Asked Questions

What is the IUPAC name of N-cyano-2-iodo-N-methylbenzamide?
The IUPAC name of N-cyano-2-iodo-N-methylbenzamide (CID 130884636) is N-cyano-2-iodo-N-methylbenzamide.
What is the SMILES notation for N-cyano-2-iodo-N-methylbenzamide?
The canonical SMILES for N-cyano-2-iodo-N-methylbenzamide is CN(C#N)C(=O)c1ccccc1I.
What is the InChIKey of N-cyano-2-iodo-N-methylbenzamide?
The InChIKey is VNMPXTZWOXMFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2O/c1-12(6-11)9(13)7-4-2-3-5-8(7)10/h2-5H,1H3.
What are the key properties of N-cyano-2-iodo-N-methylbenzamide?
N-cyano-2-iodo-N-methylbenzamide has a molecular weight of 286.07 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-2-iodo-N-methylbenzamide is sourced from PubChem (CID 130884636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).