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

C22H13ClINO3 — CID 3978077

IUPACN-(2-chloro-4-iodophenyl)-4-(2-oxochromen-3-yl)benzamide
SMILESO=C(Nc1ccc(I)cc1Cl)c1ccc(-c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C22H13ClINO3/c23-18-12-16(24)9-10-19(18)25-21(26)14-7-5-13(6-8-14)17-11-15-3-1-2-4-20(15)28-22(17)27/h1-12H,(H,25,26)
InChIKeyGBXJSZVZOSPFKR-UHFFFAOYSA-N
MW501.71 g/mol
LogP5.97
Rot. Bonds3

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

N-(2-chloro-4-iodophenyl)-4-(2-oxochromen-3-yl)benzamide (PubChem CID 3978077) has the molecular formula C22H13ClINO3 and a molecular weight of 501.71 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-4-(2-oxochromen-3-yl)benzamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-4-(2-oxochromen-3-yl)benzamide
PubChem CID3978077
Molecular FormulaC22H13ClINO3
Molecular Weight501.71 g/mol
Exact Mass500.96
IUPAC NameN-(2-chloro-4-iodophenyl)-4-(2-oxochromen-3-yl)benzamide
SMILESO=C(Nc1ccc(I)cc1Cl)c1ccc(-c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C22H13ClINO3/c23-18-12-16(24)9-10-19(18)25-21(26)14-7-5-13(6-8-14)17-11-15-3-1-2-4-20(15)28-22(17)27/h1-12H,(H,25,26)
InChIKeyGBXJSZVZOSPFKR-UHFFFAOYSA-N
XLogP5.97
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.71
LogP ≤ 55.97
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

4-(2-oxochromen-3-yl)-N-(2,4,5-trichlorophenyl)benzamide
CID 4695361
2-chloro-N-[3-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]benzamide
CID 4572798
N-(2-methoxyphenyl)-4-(2-oxochromen-3-yl)benzamide
CID 2958481
4-(2-oxochromen-3-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 4243574
N-(2-fluoro-4-iodophenyl)-3-(2-oxochromen-3-yl)benzamide
CID 3617526
N-(9,10-dioxoanthracen-1-yl)-4-(2-oxochromen-3-yl)benzamide
CID 3707397
3-chloro-N-[4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]benzamide
CID 3322024
4-(2-oxochromen-3-yl)-N-(2,4,6-trimethylphenyl)benzamide
CID 3893067
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2-oxochromen-3-yl)benzamide
CID 2001935
N-(2-chloro-4-nitrophenyl)-3-(2-oxochromen-3-yl)benzamide
CID 2959675
4-(2-oxochromen-3-yl)benzoate
CID 4249737
N-[2-methoxy-4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 2958483

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-4-(2-oxochromen-3-yl)benzamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-4-(2-oxochromen-3-yl)benzamide (CID 3978077) is N-(2-chloro-4-iodophenyl)-4-(2-oxochromen-3-yl)benzamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-4-(2-oxochromen-3-yl)benzamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-4-(2-oxochromen-3-yl)benzamide is O=C(Nc1ccc(I)cc1Cl)c1ccc(-c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-4-(2-oxochromen-3-yl)benzamide?
The InChIKey is GBXJSZVZOSPFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClINO3/c23-18-12-16(24)9-10-19(18)25-21(26)14-7-5-13(6-8-14)17-11-15-3-1-2-4-20(15)28-22(17)27/h1-12H,(H,25,26).
What are the key properties of N-(2-chloro-4-iodophenyl)-4-(2-oxochromen-3-yl)benzamide?
N-(2-chloro-4-iodophenyl)-4-(2-oxochromen-3-yl)benzamide has a molecular weight of 501.71 g/mol, XLogP of 5.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-4-(2-oxochromen-3-yl)benzamide is sourced from PubChem (CID 3978077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).