N-(2-fluoro-4-iodophenyl)-3-(2-oxochromen-3-yl)benzamide

C22H13FINO3 — CID 3617526

IUPACN-(2-fluoro-4-iodophenyl)-3-(2-oxochromen-3-yl)benzamide
SMILESO=C(Nc1ccc(I)cc1F)c1cccc(-c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C22H13FINO3/c23-18-12-16(24)8-9-19(18)25-21(26)15-6-3-5-13(10-15)17-11-14-4-1-2-7-20(14)28-22(17)27/h1-12H,(H,25,26)
InChIKeyBFHZCFKUSFILKE-UHFFFAOYSA-N
MW485.25 g/mol
LogP5.46
Rot. Bonds3

About N-(2-fluoro-4-iodophenyl)-3-(2-oxochromen-3-yl)benzamide

N-(2-fluoro-4-iodophenyl)-3-(2-oxochromen-3-yl)benzamide (PubChem CID 3617526) has the molecular formula C22H13FINO3 and a molecular weight of 485.25 g/mol. Its IUPAC name is N-(2-fluoro-4-iodophenyl)-3-(2-oxochromen-3-yl)benzamide.

Molecular Properties

Compound NameN-(2-fluoro-4-iodophenyl)-3-(2-oxochromen-3-yl)benzamide
PubChem CID3617526
Molecular FormulaC22H13FINO3
Molecular Weight485.25 g/mol
Exact Mass484.99
IUPAC NameN-(2-fluoro-4-iodophenyl)-3-(2-oxochromen-3-yl)benzamide
SMILESO=C(Nc1ccc(I)cc1F)c1cccc(-c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C22H13FINO3/c23-18-12-16(24)8-9-19(18)25-21(26)15-6-3-5-13(10-15)17-11-14-4-1-2-7-20(14)28-22(17)27/h1-12H,(H,25,26)
InChIKeyBFHZCFKUSFILKE-UHFFFAOYSA-N
XLogP5.46
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.25
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-oxochromen-3-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 4519459
N-(2-chloro-4-iodophenyl)-4-(2-oxochromen-3-yl)benzamide
CID 3978077
4-[[3-(2-oxochromen-3-yl)benzoyl]amino]benzoic acid
CID 28675540
N-(4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide
CID 4237295
N-(2-chloro-4-nitrophenyl)-3-(2-oxochromen-3-yl)benzamide
CID 2959675
N-(5-iodo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide
CID 17117022
3-(2-oxochromen-3-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 4269042
3-(2-oxochromen-3-yl)-N-(4-propan-2-ylphenyl)benzamide
CID 3790128
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-(2-oxochromen-3-yl)benzamide
CID 3659488
N-[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]-3-(2-oxochromen-3-yl)benzamide
CID 3909599
N-(3-chloro-4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide
CID 5114053
N-(5-bromo-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide
CID 2044442

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-iodophenyl)-3-(2-oxochromen-3-yl)benzamide?
The IUPAC name of N-(2-fluoro-4-iodophenyl)-3-(2-oxochromen-3-yl)benzamide (CID 3617526) is N-(2-fluoro-4-iodophenyl)-3-(2-oxochromen-3-yl)benzamide.
What is the SMILES notation for N-(2-fluoro-4-iodophenyl)-3-(2-oxochromen-3-yl)benzamide?
The canonical SMILES for N-(2-fluoro-4-iodophenyl)-3-(2-oxochromen-3-yl)benzamide is O=C(Nc1ccc(I)cc1F)c1cccc(-c2cc3ccccc3oc2=O)c1.
What is the InChIKey of N-(2-fluoro-4-iodophenyl)-3-(2-oxochromen-3-yl)benzamide?
The InChIKey is BFHZCFKUSFILKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13FINO3/c23-18-12-16(24)8-9-19(18)25-21(26)15-6-3-5-13(10-15)17-11-14-4-1-2-7-20(14)28-22(17)27/h1-12H,(H,25,26).
What are the key properties of N-(2-fluoro-4-iodophenyl)-3-(2-oxochromen-3-yl)benzamide?
N-(2-fluoro-4-iodophenyl)-3-(2-oxochromen-3-yl)benzamide has a molecular weight of 485.25 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-iodophenyl)-3-(2-oxochromen-3-yl)benzamide is sourced from PubChem (CID 3617526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).