N-(3-cyanophenyl)-4-(iodomethyl)benzamide

C15H11IN2O — CID 91264729

IUPACN-(3-cyanophenyl)-4-(iodomethyl)benzamide
SMILESN#Cc1cccc(NC(=O)c2ccc(CI)cc2)c1
InChIInChI=1S/C15H11IN2O/c16-9-11-4-6-13(7-5-11)15(19)18-14-3-1-2-12(8-14)10-17/h1-8H,9H2,(H,18,19)
InChIKeyMUYYRJQVZXLEKM-UHFFFAOYSA-N
MW362.17 g/mol
LogP3.75
Rot. Bonds3

About N-(3-cyanophenyl)-4-(iodomethyl)benzamide

N-(3-cyanophenyl)-4-(iodomethyl)benzamide (PubChem CID 91264729) has the molecular formula C15H11IN2O and a molecular weight of 362.17 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-(iodomethyl)benzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-(iodomethyl)benzamide
PubChem CID91264729
Molecular FormulaC15H11IN2O
Molecular Weight362.17 g/mol
Exact Mass361.99
IUPAC NameN-(3-cyanophenyl)-4-(iodomethyl)benzamide
SMILESN#Cc1cccc(NC(=O)c2ccc(CI)cc2)c1
InChIInChI=1S/C15H11IN2O/c16-9-11-4-6-13(7-5-11)15(19)18-14-3-1-2-12(8-14)10-17/h1-8H,9H2,(H,18,19)
InChIKeyMUYYRJQVZXLEKM-UHFFFAOYSA-N
XLogP3.75
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanophenyl)-4-ethylbenzamide
CID 2552285
N-(3-cyanophenyl)-4-iodobenzamide
CID 875242
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049974
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049931
N-(3-cyanophenyl)-4-ethoxybenzamide
CID 2707612
N-(3-cyanophenyl)-4-propan-2-ylbenzamide
CID 2552298
4-N-(3-cyanophenyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109048503
N-(3-cyanophenyl)-4-(difluoromethylsulfanyl)benzamide
CID 17469695
N-(3-cyanophenyl)-4-(ethylsulfamoyl)benzamide
CID 9245616

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-(iodomethyl)benzamide?
The IUPAC name of N-(3-cyanophenyl)-4-(iodomethyl)benzamide (CID 91264729) is N-(3-cyanophenyl)-4-(iodomethyl)benzamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-(iodomethyl)benzamide?
The canonical SMILES for N-(3-cyanophenyl)-4-(iodomethyl)benzamide is N#Cc1cccc(NC(=O)c2ccc(CI)cc2)c1.
What is the InChIKey of N-(3-cyanophenyl)-4-(iodomethyl)benzamide?
The InChIKey is MUYYRJQVZXLEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11IN2O/c16-9-11-4-6-13(7-5-11)15(19)18-14-3-1-2-12(8-14)10-17/h1-8H,9H2,(H,18,19).
What are the key properties of N-(3-cyanophenyl)-4-(iodomethyl)benzamide?
N-(3-cyanophenyl)-4-(iodomethyl)benzamide has a molecular weight of 362.17 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-(iodomethyl)benzamide is sourced from PubChem (CID 91264729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).