4-[(2-iodophenyl)carbamoyl]benzoic acid

C14H10INO3 — CID 43386509

IUPAC4-[(2-iodophenyl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2ccccc2I)cc1
InChIInChI=1S/C14H10INO3/c15-11-3-1-2-4-12(11)16-13(17)9-5-7-10(8-6-9)14(18)19/h1-8H,(H,16,17)(H,18,19)
InChIKeyZCOOXHFZUIGIFM-UHFFFAOYSA-N
MW367.14 g/mol
LogP3.24
Rot. Bonds3

About 4-[(2-iodophenyl)carbamoyl]benzoic acid

4-[(2-iodophenyl)carbamoyl]benzoic acid (PubChem CID 43386509) has the molecular formula C14H10INO3 and a molecular weight of 367.14 g/mol. Its IUPAC name is 4-[(2-iodophenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(2-iodophenyl)carbamoyl]benzoic acid
PubChem CID43386509
Molecular FormulaC14H10INO3
Molecular Weight367.14 g/mol
Exact Mass366.97
IUPAC Name4-[(2-iodophenyl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2ccccc2I)cc1
InChIInChI=1S/C14H10INO3/c15-11-3-1-2-4-12(11)16-13(17)9-5-7-10(8-6-9)14(18)19/h1-8H,(H,16,17)(H,18,19)
InChIKeyZCOOXHFZUIGIFM-UHFFFAOYSA-N
XLogP3.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.14
LogP ≤ 53.24
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

4-benzamido-N-(2-iodophenyl)benzamide
CID 30766478
4-fluoro-N-(2-iodophenyl)benzamide
CID 687036
N-(2-iodophenyl)-4-sulfanylbenzamide
CID 107022140
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
3,4-dihydroxy-N-(2-iodophenyl)benzamide
CID 103956209
4-[(2-iodoanilino)methyl]benzoic acid
CID 62217620
4-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 106760608
N-(2-iodophenyl)-3,5-dimethylbenzamide
CID 2118558
3-hydroxy-N-(2-iodophenyl)benzamide
CID 28826262
4-amino-N-(2-iodophenyl)-3-methylbenzamide
CID 28977721
3-hydroxy-N-(2-iodophenyl)-4-methylbenzamide
CID 28881825
6-bromo-N-(2-iodophenyl)pyridine-3-carboxamide
CID 66465043

Frequently Asked Questions

What is the IUPAC name of 4-[(2-iodophenyl)carbamoyl]benzoic acid?
The IUPAC name of 4-[(2-iodophenyl)carbamoyl]benzoic acid (CID 43386509) is 4-[(2-iodophenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 4-[(2-iodophenyl)carbamoyl]benzoic acid?
The canonical SMILES for 4-[(2-iodophenyl)carbamoyl]benzoic acid is O=C(O)c1ccc(C(=O)Nc2ccccc2I)cc1.
What is the InChIKey of 4-[(2-iodophenyl)carbamoyl]benzoic acid?
The InChIKey is ZCOOXHFZUIGIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10INO3/c15-11-3-1-2-4-12(11)16-13(17)9-5-7-10(8-6-9)14(18)19/h1-8H,(H,16,17)(H,18,19).
What are the key properties of 4-[(2-iodophenyl)carbamoyl]benzoic acid?
4-[(2-iodophenyl)carbamoyl]benzoic acid has a molecular weight of 367.14 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-iodophenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 43386509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).