2-iodo-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide

C16H12F3IN2O2 — CID 108933632

IUPAC2-iodo-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(NC(=O)C(F)(F)F)cc1)c1ccccc1I
InChIInChI=1S/C16H12F3IN2O2/c17-16(18,19)15(24)22-11-7-5-10(6-8-11)9-21-14(23)12-3-1-2-4-13(12)20/h1-8H,9H2,(H,21,23)(H,22,24)
InChIKeyGUXQDYMHRWWHHI-UHFFFAOYSA-N
MW448.18 g/mol
LogP3.72
Rot. Bonds4

About 2-iodo-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide

2-iodo-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide (PubChem CID 108933632) has the molecular formula C16H12F3IN2O2 and a molecular weight of 448.18 g/mol. Its IUPAC name is 2-iodo-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
PubChem CID108933632
Molecular FormulaC16H12F3IN2O2
Molecular Weight448.18 g/mol
Exact Mass447.99
IUPAC Name2-iodo-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(NC(=O)C(F)(F)F)cc1)c1ccccc1I
InChIInChI=1S/C16H12F3IN2O2/c17-16(18,19)15(24)22-11-7-5-10(6-8-11)9-21-14(23)12-3-1-2-4-13(12)20/h1-8H,9H2,(H,21,23)(H,22,24)
InChIKeyGUXQDYMHRWWHHI-UHFFFAOYSA-N
XLogP3.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.18
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(2-aminoethyl)phenyl]methyl]-2-iodobenzamide
CID 62500805
N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
CID 60515711
2-iodo-N-[2-[[4-(2-methylpropanoylamino)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55510358
2-iodo-N-[(4-nitrophenyl)methyl]benzamide
CID 47311873
4-pyrrol-1-yl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108933756
2-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108933950
2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 3688505
N-phenyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide
CID 46915048
N-[(3-fluorophenyl)methyl]-2-iodobenzamide
CID 46447840
2-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 60738967
2,2,2-trifluoro-N-[4-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetamide
CID 108933744
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide?
The IUPAC name of 2-iodo-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide (CID 108933632) is 2-iodo-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide.
What is the SMILES notation for 2-iodo-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide?
The canonical SMILES for 2-iodo-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide is O=C(NCc1ccc(NC(=O)C(F)(F)F)cc1)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide?
The InChIKey is GUXQDYMHRWWHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3IN2O2/c17-16(18,19)15(24)22-11-7-5-10(6-8-11)9-21-14(23)12-3-1-2-4-13(12)20/h1-8H,9H2,(H,21,23)(H,22,24).
What are the key properties of 2-iodo-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide?
2-iodo-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide has a molecular weight of 448.18 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide is sourced from PubChem (CID 108933632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).