2-iodo-N-[2-(3-methylbutanoyl)phenyl]benzamide

C18H18INO2 — CID 66968688

IUPAC2-iodo-N-[2-(3-methylbutanoyl)phenyl]benzamide
SMILESCC(C)CC(=O)c1ccccc1NC(=O)c1ccccc1I
InChIInChI=1S/C18H18INO2/c1-12(2)11-17(21)14-8-4-6-10-16(14)20-18(22)13-7-3-5-9-15(13)19/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyUXKGSTFHJLYJNQ-UHFFFAOYSA-N
MW407.25 g/mol
LogP4.77
Rot. Bonds5

About 2-iodo-N-[2-(3-methylbutanoyl)phenyl]benzamide

2-iodo-N-[2-(3-methylbutanoyl)phenyl]benzamide (PubChem CID 66968688) has the molecular formula C18H18INO2 and a molecular weight of 407.25 g/mol. Its IUPAC name is 2-iodo-N-[2-(3-methylbutanoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[2-(3-methylbutanoyl)phenyl]benzamide
PubChem CID66968688
Molecular FormulaC18H18INO2
Molecular Weight407.25 g/mol
Exact Mass407.04
IUPAC Name2-iodo-N-[2-(3-methylbutanoyl)phenyl]benzamide
SMILESCC(C)CC(=O)c1ccccc1NC(=O)c1ccccc1I
InChIInChI=1S/C18H18INO2/c1-12(2)11-17(21)14-8-4-6-10-16(14)20-18(22)13-7-3-5-9-15(13)19/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyUXKGSTFHJLYJNQ-UHFFFAOYSA-N
XLogP4.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.25
LogP ≤ 54.77
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-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide
CID 26244706
2-iodo-N-(2-propan-2-ylphenyl)benzamide
CID 615900
2-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 1250224
N-(2-ethylsulfanylphenyl)-2-iodobenzamide
CID 47310864
2-[2-[(2-iodobenzoyl)amino]phenyl]acetic acid
CID 62535711
N-(2-chlorophenyl)-2-iodobenzamide
CID 1105942
N-[2-(aminomethyl)phenyl]-2-iodobenzamide
CID 64882136
1-(2-iodophenyl)-3-methylhexan-1-one
CID 114968780
N-(2-ethoxyphenyl)-2-iodobenzamide
CID 996130
N-(2,3-dichlorophenyl)-2-iodobenzamide
CID 1043515
N-butan-2-yl-2-iodobenzamide
CID 3344108
N-(4-anilinophenyl)-2-[(2-iodobenzoyl)amino]benzamide
CID 4941925

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-(3-methylbutanoyl)phenyl]benzamide?
The IUPAC name of 2-iodo-N-[2-(3-methylbutanoyl)phenyl]benzamide (CID 66968688) is 2-iodo-N-[2-(3-methylbutanoyl)phenyl]benzamide.
What is the SMILES notation for 2-iodo-N-[2-(3-methylbutanoyl)phenyl]benzamide?
The canonical SMILES for 2-iodo-N-[2-(3-methylbutanoyl)phenyl]benzamide is CC(C)CC(=O)c1ccccc1NC(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[2-(3-methylbutanoyl)phenyl]benzamide?
The InChIKey is UXKGSTFHJLYJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18INO2/c1-12(2)11-17(21)14-8-4-6-10-16(14)20-18(22)13-7-3-5-9-15(13)19/h3-10,12H,11H2,1-2H3,(H,20,22).
What are the key properties of 2-iodo-N-[2-(3-methylbutanoyl)phenyl]benzamide?
2-iodo-N-[2-(3-methylbutanoyl)phenyl]benzamide has a molecular weight of 407.25 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-(3-methylbutanoyl)phenyl]benzamide is sourced from PubChem (CID 66968688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).