N-benzyl-2-iodo-4-methylbenzamide

C15H14INO — CID 100523072

IUPACN-benzyl-2-iodo-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccccc2)c(I)c1
InChIInChI=1S/C15H14INO/c1-11-7-8-13(14(16)9-11)15(18)17-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyGOYYZTGPELYOFZ-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.53
Rot. Bonds3

About N-benzyl-2-iodo-4-methylbenzamide

N-benzyl-2-iodo-4-methylbenzamide (PubChem CID 100523072) has the molecular formula C15H14INO and a molecular weight of 351.19 g/mol. Its IUPAC name is N-benzyl-2-iodo-4-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-iodo-4-methylbenzamide
PubChem CID100523072
Molecular FormulaC15H14INO
Molecular Weight351.19 g/mol
Exact Mass351.01
IUPAC NameN-benzyl-2-iodo-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccccc2)c(I)c1
InChIInChI=1S/C15H14INO/c1-11-7-8-13(14(16)9-11)15(18)17-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyGOYYZTGPELYOFZ-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-4-methyl-N-(2-phenylethyl)benzamide
CID 100523119
2-iodo-4-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 100525900
2-iodo-4-methyl-N-[3-(3-methylphenyl)propyl]benzamide
CID 100526826
N-[(3-hydroxyphenyl)methyl]-2,4-dimethylbenzamide
CID 47292289
2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 2688094
2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 99835975
2-fluoro-N-[(3-hydroxyphenyl)methyl]-4-methylbenzamide
CID 79795606
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999
2-iodo-4-methylbenzoic acid
CID 4285392
N-benzyl-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide
CID 92646177
N-benzyl-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824647
(2-iodo-4-methylphenyl)-phenylmethanone
CID 170986222

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-iodo-4-methylbenzamide?
The IUPAC name of N-benzyl-2-iodo-4-methylbenzamide (CID 100523072) is N-benzyl-2-iodo-4-methylbenzamide.
What is the SMILES notation for N-benzyl-2-iodo-4-methylbenzamide?
The canonical SMILES for N-benzyl-2-iodo-4-methylbenzamide is Cc1ccc(C(=O)NCc2ccccc2)c(I)c1.
What is the InChIKey of N-benzyl-2-iodo-4-methylbenzamide?
The InChIKey is GOYYZTGPELYOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO/c1-11-7-8-13(14(16)9-11)15(18)17-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of N-benzyl-2-iodo-4-methylbenzamide?
N-benzyl-2-iodo-4-methylbenzamide has a molecular weight of 351.19 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-iodo-4-methylbenzamide is sourced from PubChem (CID 100523072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).