2-[(4-fluoro-2-iodophenyl)carbamoyl-propan-2-ylamino]acetic acid

C12H14FIN2O3 — CID 79766999

IUPAC2-[(4-fluoro-2-iodophenyl)carbamoyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C12H14FIN2O3/c1-7(2)16(6-11(17)18)12(19)15-10-4-3-8(13)5-9(10)14/h3-5,7H,6H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyFJKIWVVWVRFNOU-UHFFFAOYSA-N
MW380.16 g/mol
LogP2.76
Rot. Bonds4

About 2-[(4-fluoro-2-iodophenyl)carbamoyl-propan-2-ylamino]acetic acid

2-[(4-fluoro-2-iodophenyl)carbamoyl-propan-2-ylamino]acetic acid (PubChem CID 79766999) has the molecular formula C12H14FIN2O3 and a molecular weight of 380.16 g/mol. Its IUPAC name is 2-[(4-fluoro-2-iodophenyl)carbamoyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-fluoro-2-iodophenyl)carbamoyl-propan-2-ylamino]acetic acid
PubChem CID79766999
Molecular FormulaC12H14FIN2O3
Molecular Weight380.16 g/mol
Exact Mass380.00
IUPAC Name2-[(4-fluoro-2-iodophenyl)carbamoyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C12H14FIN2O3/c1-7(2)16(6-11(17)18)12(19)15-10-4-3-8(13)5-9(10)14/h3-5,7H,6H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyFJKIWVVWVRFNOU-UHFFFAOYSA-N
XLogP2.76
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.16
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(4-fluoro-2-iodophenyl)carbamoyl-propan-2-ylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-bromo-4-fluorophenyl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61196495
2-[butan-2-yl-[(2-chloro-5-fluorophenyl)carbamoyl]amino]acetic acid
CID 107530003
2-[(3-fluoro-5-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 79049906
4-[(4-fluoro-2-methylphenyl)carbamoyl-propan-2-ylamino]butanoic acid
CID 61191254
2-[(2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 61194418
4-[(4-fluoro-2-iodophenyl)carbamoylamino]-2-methylbutanoic acid
CID 80541055
3-[(2-cyano-4-fluorophenyl)carbamoyl-propan-2-ylamino]propanoic acid
CID 82017138
2-[(2-bromo-5-chlorophenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 81279694
N-(4-fluoro-2-iodophenyl)-2-methylsulfonylacetamide
CID 79766482
4-[(4-fluoro-2-iodophenyl)carbamoylamino]butanoic acid
CID 79766348
N-(2-amino-2-oxoethyl)-4-fluoro-2-iodo-N-propan-2-ylbenzamide
CID 113222881
2-[(3-bromo-2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 107627218

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-iodophenyl)carbamoyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(4-fluoro-2-iodophenyl)carbamoyl-propan-2-ylamino]acetic acid (CID 79766999) is 2-[(4-fluoro-2-iodophenyl)carbamoyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(4-fluoro-2-iodophenyl)carbamoyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(4-fluoro-2-iodophenyl)carbamoyl-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)Nc1ccc(F)cc1I.
What is the InChIKey of 2-[(4-fluoro-2-iodophenyl)carbamoyl-propan-2-ylamino]acetic acid?
The InChIKey is FJKIWVVWVRFNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FIN2O3/c1-7(2)16(6-11(17)18)12(19)15-10-4-3-8(13)5-9(10)14/h3-5,7H,6H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(4-fluoro-2-iodophenyl)carbamoyl-propan-2-ylamino]acetic acid?
2-[(4-fluoro-2-iodophenyl)carbamoyl-propan-2-ylamino]acetic acid has a molecular weight of 380.16 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-iodophenyl)carbamoyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 79766999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).