1-cyano-N-(4-iodophenyl)cyclobutane-1-carboxamide

C12H11IN2O — CID 78995000

IUPAC1-cyano-N-(4-iodophenyl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)Nc2ccc(I)cc2)CCC1
InChIInChI=1S/C12H11IN2O/c13-9-2-4-10(5-3-9)15-11(16)12(8-14)6-1-7-12/h2-5H,1,6-7H2,(H,15,16)
InChIKeyHHGYZRLSJVJBBW-UHFFFAOYSA-N
MW326.14 g/mol
LogP2.92
Rot. Bonds2

About 1-cyano-N-(4-iodophenyl)cyclobutane-1-carboxamide

1-cyano-N-(4-iodophenyl)cyclobutane-1-carboxamide (PubChem CID 78995000) has the molecular formula C12H11IN2O and a molecular weight of 326.14 g/mol. Its IUPAC name is 1-cyano-N-(4-iodophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(4-iodophenyl)cyclobutane-1-carboxamide
PubChem CID78995000
Molecular FormulaC12H11IN2O
Molecular Weight326.14 g/mol
Exact Mass325.99
IUPAC Name1-cyano-N-(4-iodophenyl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)Nc2ccc(I)cc2)CCC1
InChIInChI=1S/C12H11IN2O/c13-9-2-4-10(5-3-9)15-11(16)12(8-14)6-1-7-12/h2-5H,1,6-7H2,(H,15,16)
InChIKeyHHGYZRLSJVJBBW-UHFFFAOYSA-N
XLogP2.92
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(carbamoylamino)phenyl]-1-cyanocyclopentane-1-carboxamide
CID 31812989
4-[(1-cyanocyclohexanecarbonyl)amino]benzamide
CID 60581823
N-(2-chloro-5-iodophenyl)-1-cyanocyclopentane-1-carboxamide
CID 113255375
1-cyano-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 78994979
1-cyano-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
CID 31816749
1-cyano-N-(4-fluoro-3-methylphenyl)cyclohexane-1-carboxamide
CID 62812690
1-cyano-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 51246758
1-cyano-N-[4-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide
CID 61459503
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-cyanocyclohexane-1-carboxamide
CID 60584279
1-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
CID 51224356
1-cyano-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 29240913
1-cyano-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide
CID 107600288

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(4-iodophenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(4-iodophenyl)cyclobutane-1-carboxamide (CID 78995000) is 1-cyano-N-(4-iodophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(4-iodophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(4-iodophenyl)cyclobutane-1-carboxamide is N#CC1(C(=O)Nc2ccc(I)cc2)CCC1.
What is the InChIKey of 1-cyano-N-(4-iodophenyl)cyclobutane-1-carboxamide?
The InChIKey is HHGYZRLSJVJBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN2O/c13-9-2-4-10(5-3-9)15-11(16)12(8-14)6-1-7-12/h2-5H,1,6-7H2,(H,15,16).
What are the key properties of 1-cyano-N-(4-iodophenyl)cyclobutane-1-carboxamide?
1-cyano-N-(4-iodophenyl)cyclobutane-1-carboxamide has a molecular weight of 326.14 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(4-iodophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 78995000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).