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

C15H13IN2O3 — CID 19030577

IUPAC2-[(2-iodophenyl)carbamoyl-methylamino]benzoic acid
SMILESCN(C(=O)Nc1ccccc1I)c1ccccc1C(=O)O
InChIInChI=1S/C15H13IN2O3/c1-18(13-9-5-2-6-10(13)14(19)20)15(21)17-12-8-4-3-7-11(12)16/h2-9H,1H3,(H,17,21)(H,19,20)
InChIKeyCXBYXWWQVYHNJY-UHFFFAOYSA-N
MW396.18 g/mol
LogP3.66
Rot. Bonds3

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

2-[(2-iodophenyl)carbamoyl-methylamino]benzoic acid (PubChem CID 19030577) has the molecular formula C15H13IN2O3 and a molecular weight of 396.18 g/mol. Its IUPAC name is 2-[(2-iodophenyl)carbamoyl-methylamino]benzoic acid.

Molecular Properties

Compound Name2-[(2-iodophenyl)carbamoyl-methylamino]benzoic acid
PubChem CID19030577
Molecular FormulaC15H13IN2O3
Molecular Weight396.18 g/mol
Exact Mass396.00
IUPAC Name2-[(2-iodophenyl)carbamoyl-methylamino]benzoic acid
SMILESCN(C(=O)Nc1ccccc1I)c1ccccc1C(=O)O
InChIInChI=1S/C15H13IN2O3/c1-18(13-9-5-2-6-10(13)14(19)20)15(21)17-12-8-4-3-7-11(12)16/h2-9H,1H3,(H,17,21)(H,19,20)
InChIKeyCXBYXWWQVYHNJY-UHFFFAOYSA-N
XLogP3.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.18
LogP ≤ 53.66
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

2-[(2-iodophenyl)carbamoyl-methylamino]propanoic acid
CID 62637000
2-methyl-3-[[methyl(phenyl)carbamoyl]amino]benzoic acid
CID 62948083
2-[methyl(thiophen-3-ylcarbamoyl)amino]benzoic acid
CID 66355662
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
2-[(2,2-difluoroacetyl)-methylamino]benzoic acid
CID 103513102
2-[methyl-[(2-methylcyclopropyl)carbamoyl]amino]benzoic acid
CID 62409411
2-[(3-amino-3-methylbutanoyl)-methylamino]benzoic acid
CID 64677769
2-[2-[ethyl(methyl)amino]ethylcarbamoyl-methylamino]benzoic acid
CID 62636872
2-[methyl(2-methylpropanoyl)amino]benzoic acid
CID 16770720
tert-butyl N-(2-iodophenyl)-N-[(2-iodophenyl)carbamoyl]carbamate
CID 171397270
2-[methyl-[(1-methylpiperidin-4-yl)carbamoyl]amino]benzoic acid
CID 61198603
3-(2-iodophenyl)-1,1-bis(2-methylpropyl)urea
CID 47258185

Frequently Asked Questions

What is the IUPAC name of 2-[(2-iodophenyl)carbamoyl-methylamino]benzoic acid?
The IUPAC name of 2-[(2-iodophenyl)carbamoyl-methylamino]benzoic acid (CID 19030577) is 2-[(2-iodophenyl)carbamoyl-methylamino]benzoic acid.
What is the SMILES notation for 2-[(2-iodophenyl)carbamoyl-methylamino]benzoic acid?
The canonical SMILES for 2-[(2-iodophenyl)carbamoyl-methylamino]benzoic acid is CN(C(=O)Nc1ccccc1I)c1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-iodophenyl)carbamoyl-methylamino]benzoic acid?
The InChIKey is CXBYXWWQVYHNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN2O3/c1-18(13-9-5-2-6-10(13)14(19)20)15(21)17-12-8-4-3-7-11(12)16/h2-9H,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[(2-iodophenyl)carbamoyl-methylamino]benzoic acid?
2-[(2-iodophenyl)carbamoyl-methylamino]benzoic acid has a molecular weight of 396.18 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-iodophenyl)carbamoyl-methylamino]benzoic acid is sourced from PubChem (CID 19030577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).