2-[4-[(2-iodophenyl)carbamoylamino]phenyl]acetic acid

C15H13IN2O3 — CID 61185205

IUPAC2-[4-[(2-iodophenyl)carbamoylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)Nc2ccccc2I)cc1
InChIInChI=1S/C15H13IN2O3/c16-12-3-1-2-4-13(12)18-15(21)17-11-7-5-10(6-8-11)9-14(19)20/h1-8H,9H2,(H,19,20)(H2,17,18,21)
InChIKeyVAQNDHVXWVRYPE-UHFFFAOYSA-N
MW396.18 g/mol
LogP3.56
Rot. Bonds4

About 2-[4-[(2-iodophenyl)carbamoylamino]phenyl]acetic acid

2-[4-[(2-iodophenyl)carbamoylamino]phenyl]acetic acid (PubChem CID 61185205) has the molecular formula C15H13IN2O3 and a molecular weight of 396.18 g/mol. Its IUPAC name is 2-[4-[(2-iodophenyl)carbamoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-iodophenyl)carbamoylamino]phenyl]acetic acid
PubChem CID61185205
Molecular FormulaC15H13IN2O3
Molecular Weight396.18 g/mol
Exact Mass396.00
IUPAC Name2-[4-[(2-iodophenyl)carbamoylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)Nc2ccccc2I)cc1
InChIInChI=1S/C15H13IN2O3/c16-12-3-1-2-4-13(12)18-15(21)17-11-7-5-10(6-8-11)9-14(19)20/h1-8H,9H2,(H,19,20)(H2,17,18,21)
InChIKeyVAQNDHVXWVRYPE-UHFFFAOYSA-N
XLogP3.56
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.18
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(phenylcarbamoylamino)phenyl]acetic acid
CID 564698
1-(2-iodophenyl)-3-pyridin-4-ylurea
CID 3370542
4-[[4-(carboxymethyl)phenyl]carbamoylamino]benzoic acid
CID 127562090
1-(2-iodophenyl)-3-(4-sulfamoylphenyl)urea
CID 68630610
2-[4-[(4-pyrrol-1-ylphenyl)carbamoylamino]phenyl]acetic acid
CID 108886748
2-hydroxy-4-[(2-iodophenyl)carbamoylamino]benzoic acid
CID 61186270
2-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 47248811
1-(3,5-dimethylphenyl)-3-(2-iodophenyl)urea
CID 108869034
2-[4-[(4-cyanophenyl)carbamoylamino]phenyl]acetic acid
CID 16784091
2-[3-[(4-iodophenyl)carbamoylamino]phenyl]acetic acid
CID 65345675
4-benzamido-N-(2-iodophenyl)benzamide
CID 30766478
4-[(2-iodophenyl)carbamoylamino]-4-oxobutanoic acid
CID 28978481

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-iodophenyl)carbamoylamino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-iodophenyl)carbamoylamino]phenyl]acetic acid (CID 61185205) is 2-[4-[(2-iodophenyl)carbamoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-iodophenyl)carbamoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-iodophenyl)carbamoylamino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)Nc2ccccc2I)cc1.
What is the InChIKey of 2-[4-[(2-iodophenyl)carbamoylamino]phenyl]acetic acid?
The InChIKey is VAQNDHVXWVRYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN2O3/c16-12-3-1-2-4-13(12)18-15(21)17-11-7-5-10(6-8-11)9-14(19)20/h1-8H,9H2,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[4-[(2-iodophenyl)carbamoylamino]phenyl]acetic acid?
2-[4-[(2-iodophenyl)carbamoylamino]phenyl]acetic acid has a molecular weight of 396.18 g/mol, XLogP of 3.56, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-iodophenyl)carbamoylamino]phenyl]acetic acid is sourced from PubChem (CID 61185205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).