N-benzhydryl-2-iodobenzamide

C20H16INO — CID 2255693

IUPACN-benzhydryl-2-iodobenzamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1ccccc1I
InChIInChI=1S/C20H16INO/c21-18-14-8-7-13-17(18)20(23)22-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H,(H,22,23)
InChIKeyLEDSDXPJDOUOEK-UHFFFAOYSA-N
MW413.26 g/mol
LogP4.81
Rot. Bonds4

About N-benzhydryl-2-iodobenzamide

N-benzhydryl-2-iodobenzamide (PubChem CID 2255693) has the molecular formula C20H16INO and a molecular weight of 413.26 g/mol. Its IUPAC name is N-benzhydryl-2-iodobenzamide.

Molecular Properties

Compound NameN-benzhydryl-2-iodobenzamide
PubChem CID2255693
Molecular FormulaC20H16INO
Molecular Weight413.26 g/mol
Exact Mass413.03
IUPAC NameN-benzhydryl-2-iodobenzamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1ccccc1I
InChIInChI=1S/C20H16INO/c21-18-14-8-7-13-17(18)20(23)22-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H,(H,22,23)
InChIKeyLEDSDXPJDOUOEK-UHFFFAOYSA-N
XLogP4.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.26
LogP ≤ 54.81
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

N-[(4-fluorophenyl)-phenylmethyl]-2-iodobenzamide
CID 55594145
N-[(1R)-2-hydroxy-1-phenylethyl]-2-iodobenzamide
CID 103772803
N-(1-hydroxy-1-phenylpropan-2-yl)-2-iodobenzamide
CID 54110010
N-(1,3-dihydroxypropan-2-yl)-2-iodobenzamide
CID 65312404
2-[(2-iodobenzoyl)amino]-3-sulfanylpropanoic acid
CID 16775410
(2R)-2-[(2-iodobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 113353045
N-benzhydryl-2-phenoxybenzamide
CID 3401619
N-benzhydryl-2,4,5-trimethylbenzamide
CID 100710488
N-butan-2-yl-2-iodobenzamide
CID 3344108
2-iodo-N-[1-(4-methylphenyl)ethyl]benzamide
CID 2981930
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
CID 2242817
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
CID 2242814

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-iodobenzamide?
The IUPAC name of N-benzhydryl-2-iodobenzamide (CID 2255693) is N-benzhydryl-2-iodobenzamide.
What is the SMILES notation for N-benzhydryl-2-iodobenzamide?
The canonical SMILES for N-benzhydryl-2-iodobenzamide is O=C(NC(c1ccccc1)c1ccccc1)c1ccccc1I.
What is the InChIKey of N-benzhydryl-2-iodobenzamide?
The InChIKey is LEDSDXPJDOUOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16INO/c21-18-14-8-7-13-17(18)20(23)22-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H,(H,22,23).
What are the key properties of N-benzhydryl-2-iodobenzamide?
N-benzhydryl-2-iodobenzamide has a molecular weight of 413.26 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-iodobenzamide is sourced from PubChem (CID 2255693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).