N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide

C20H12Cl2INO2 — CID 2295317

IUPACN-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cc(I)ccc1Cl
InChIInChI=1S/C20H12Cl2INO2/c21-13-6-9-18(16(10-13)19(25)12-4-2-1-3-5-12)24-20(26)15-11-14(23)7-8-17(15)22/h1-11H,(H,24,26)
InChIKeyULEDHGLGOHNZTI-UHFFFAOYSA-N
MW496.13 g/mol
LogP6.08
Rot. Bonds4

About N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide

N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide (PubChem CID 2295317) has the molecular formula C20H12Cl2INO2 and a molecular weight of 496.13 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide
PubChem CID2295317
Molecular FormulaC20H12Cl2INO2
Molecular Weight496.13 g/mol
Exact Mass494.93
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cc(I)ccc1Cl
InChIInChI=1S/C20H12Cl2INO2/c21-13-6-9-18(16(10-13)19(25)12-4-2-1-3-5-12)24-20(26)15-11-14(23)7-8-17(15)22/h1-11H,(H,24,26)
InChIKeyULEDHGLGOHNZTI-UHFFFAOYSA-N
XLogP6.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.13
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzoyl-4-methylphenyl)-2,5-dichlorobenzamide
CID 23879994
N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 1354566
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
N-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide
CID 4512455
N-(2-benzoyl-4-chlorophenyl)-5-bromo-2,3,4-trimethylbenzamide
CID 3500532
3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide
CID 17226391
N-(2-benzoyl-4-chlorophenyl)-4-(dimethylamino)benzamide
CID 3539532
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2,4-dichlorobenzamide
CID 2342128
N-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide
CID 2296038
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid
CID 106500272
N-(2-benzoylphenyl)-2-chloro-4,5-difluorobenzamide
CID 992682
N-(2-benzoyl-4-chlorophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19417251

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide (CID 2295317) is N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide is O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cc(I)ccc1Cl.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide?
The InChIKey is ULEDHGLGOHNZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2INO2/c21-13-6-9-18(16(10-13)19(25)12-4-2-1-3-5-12)24-20(26)15-11-14(23)7-8-17(15)22/h1-11H,(H,24,26).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide?
N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide has a molecular weight of 496.13 g/mol, XLogP of 6.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide is sourced from PubChem (CID 2295317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).