N-[(4-fluorophenyl)-phenylmethyl]-2-iodobenzamide

C20H15FINO — CID 55594145

IUPACN-[(4-fluorophenyl)-phenylmethyl]-2-iodobenzamide
SMILESO=C(NC(c1ccccc1)c1ccc(F)cc1)c1ccccc1I
InChIInChI=1S/C20H15FINO/c21-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23-20(24)17-8-4-5-9-18(17)22/h1-13,19H,(H,23,24)
InChIKeyIDIHSEOFOYBGJR-UHFFFAOYSA-N
MW431.25 g/mol
LogP4.95
Rot. Bonds4

About N-[(4-fluorophenyl)-phenylmethyl]-2-iodobenzamide

N-[(4-fluorophenyl)-phenylmethyl]-2-iodobenzamide (PubChem CID 55594145) has the molecular formula C20H15FINO and a molecular weight of 431.25 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-phenylmethyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-phenylmethyl]-2-iodobenzamide
PubChem CID55594145
Molecular FormulaC20H15FINO
Molecular Weight431.25 g/mol
Exact Mass431.02
IUPAC NameN-[(4-fluorophenyl)-phenylmethyl]-2-iodobenzamide
SMILESO=C(NC(c1ccccc1)c1ccc(F)cc1)c1ccccc1I
InChIInChI=1S/C20H15FINO/c21-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23-20(24)17-8-4-5-9-18(17)22/h1-13,19H,(H,23,24)
InChIKeyIDIHSEOFOYBGJR-UHFFFAOYSA-N
XLogP4.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.25
LogP ≤ 54.95
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-benzhydryl-2-iodobenzamide
CID 2255693
2-[[(S)-(4-fluorophenyl)-phenylmethyl]amino]-2-oxoacetic acid
CID 99784106
N-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2953170
N-benzhydryl-2-bromo-4-fluorobenzamide
CID 9192491
N-[(R)-(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2203223
N-[(1R)-2-hydroxy-1-phenylethyl]-2-iodobenzamide
CID 103772803
N-(1-hydroxy-1-phenylpropan-2-yl)-2-iodobenzamide
CID 54110010
N-[(4-fluorophenyl)-phenylmethyl]-1,5-dimethylpyrrole-2-carboxamide
CID 112816610
N-benzhydryl-2-phenoxybenzamide
CID 3401619
2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46601354
N-[2-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-2-oxoethyl]-2-iodobenzamide
CID 60518469
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
CID 2242814

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-phenylmethyl]-2-iodobenzamide?
The IUPAC name of N-[(4-fluorophenyl)-phenylmethyl]-2-iodobenzamide (CID 55594145) is N-[(4-fluorophenyl)-phenylmethyl]-2-iodobenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)-phenylmethyl]-2-iodobenzamide?
The canonical SMILES for N-[(4-fluorophenyl)-phenylmethyl]-2-iodobenzamide is O=C(NC(c1ccccc1)c1ccc(F)cc1)c1ccccc1I.
What is the InChIKey of N-[(4-fluorophenyl)-phenylmethyl]-2-iodobenzamide?
The InChIKey is IDIHSEOFOYBGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FINO/c21-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23-20(24)17-8-4-5-9-18(17)22/h1-13,19H,(H,23,24).
What are the key properties of N-[(4-fluorophenyl)-phenylmethyl]-2-iodobenzamide?
N-[(4-fluorophenyl)-phenylmethyl]-2-iodobenzamide has a molecular weight of 431.25 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-phenylmethyl]-2-iodobenzamide is sourced from PubChem (CID 55594145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).