N-(3-benzamido-4-chlorophenyl)-2-iodobenzamide

C20H14ClIN2O2 — CID 1104044

IUPACN-(3-benzamido-4-chlorophenyl)-2-iodobenzamide
SMILESO=C(Nc1cc(NC(=O)c2ccccc2I)ccc1Cl)c1ccccc1
InChIInChI=1S/C20H14ClIN2O2/c21-16-11-10-14(23-20(26)15-8-4-5-9-17(15)22)12-18(16)24-19(25)13-6-2-1-3-7-13/h1-12H,(H,23,26)(H,24,25)
InChIKeyKUTCEJFCVMYYNA-UHFFFAOYSA-N
MW476.70 g/mol
LogP5.45
Rot. Bonds4

About N-(3-benzamido-4-chlorophenyl)-2-iodobenzamide

N-(3-benzamido-4-chlorophenyl)-2-iodobenzamide (PubChem CID 1104044) has the molecular formula C20H14ClIN2O2 and a molecular weight of 476.70 g/mol. Its IUPAC name is N-(3-benzamido-4-chlorophenyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(3-benzamido-4-chlorophenyl)-2-iodobenzamide
PubChem CID1104044
Molecular FormulaC20H14ClIN2O2
Molecular Weight476.70 g/mol
Exact Mass475.98
IUPAC NameN-(3-benzamido-4-chlorophenyl)-2-iodobenzamide
SMILESO=C(Nc1cc(NC(=O)c2ccccc2I)ccc1Cl)c1ccccc1
InChIInChI=1S/C20H14ClIN2O2/c21-16-11-10-14(23-20(26)15-8-4-5-9-17(15)22)12-18(16)24-19(25)13-6-2-1-3-7-13/h1-12H,(H,23,26)(H,24,25)
InChIKeyKUTCEJFCVMYYNA-UHFFFAOYSA-N
XLogP5.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.70
LogP ≤ 55.45
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-(3-benzamido-4-chlorophenyl)-2-fluorobenzamide
CID 1104031
N-(3-benzamido-4-chlorophenyl)naphthalene-1-carboxamide
CID 1104039
N-(4-chloro-3-fluorophenyl)-2-iodobenzamide
CID 47227907
N-(3-benzamido-4-chlorophenyl)-6-chloro-2-methylpyridine-3-carboxamide
CID 16730950
methyl 2-chloro-5-[(2-iodobenzoyl)amino]benzoate
CID 1312112
N-(3-chloro-4-fluorophenyl)-2-iodobenzamide
CID 615783
N-(2-chlorophenyl)-2-iodobenzamide
CID 1105942
5-benzamido-2-iodobenzoic acid
CID 2974228
N-(4-benzoylphenyl)-2-iodobenzamide
CID 1010139
N-(4-chloro-3-nitrophenyl)-2-iodobenzamide
CID 3343277
N-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide
CID 4620848
N-(2,5-dichlorophenyl)benzamide;hydroiodide
CID 175991469

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamido-4-chlorophenyl)-2-iodobenzamide?
The IUPAC name of N-(3-benzamido-4-chlorophenyl)-2-iodobenzamide (CID 1104044) is N-(3-benzamido-4-chlorophenyl)-2-iodobenzamide.
What is the SMILES notation for N-(3-benzamido-4-chlorophenyl)-2-iodobenzamide?
The canonical SMILES for N-(3-benzamido-4-chlorophenyl)-2-iodobenzamide is O=C(Nc1cc(NC(=O)c2ccccc2I)ccc1Cl)c1ccccc1.
What is the InChIKey of N-(3-benzamido-4-chlorophenyl)-2-iodobenzamide?
The InChIKey is KUTCEJFCVMYYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClIN2O2/c21-16-11-10-14(23-20(26)15-8-4-5-9-17(15)22)12-18(16)24-19(25)13-6-2-1-3-7-13/h1-12H,(H,23,26)(H,24,25).
What are the key properties of N-(3-benzamido-4-chlorophenyl)-2-iodobenzamide?
N-(3-benzamido-4-chlorophenyl)-2-iodobenzamide has a molecular weight of 476.70 g/mol, XLogP of 5.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamido-4-chlorophenyl)-2-iodobenzamide is sourced from PubChem (CID 1104044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).