2-[3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]acetic acid

C13H16F2N2O4 — CID 107481817

IUPAC2-[3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)N(CCO)CC(F)F)c1
InChIInChI=1S/C13H16F2N2O4/c14-11(15)8-17(4-5-18)13(21)16-10-3-1-2-9(6-10)7-12(19)20/h1-3,6,11,18H,4-5,7-8H2,(H,16,21)(H,19,20)
InChIKeyQRNCLPUKQZBIFJ-UHFFFAOYSA-N
MW302.28 g/mol
LogP1.40
Rot. Bonds7

About 2-[3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]acetic acid

2-[3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]acetic acid (PubChem CID 107481817) has the molecular formula C13H16F2N2O4 and a molecular weight of 302.28 g/mol. Its IUPAC name is 2-[3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]acetic acid
PubChem CID107481817
Molecular FormulaC13H16F2N2O4
Molecular Weight302.28 g/mol
Exact Mass302.11
IUPAC Name2-[3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)N(CCO)CC(F)F)c1
InChIInChI=1S/C13H16F2N2O4/c14-11(15)8-17(4-5-18)13(21)16-10-3-1-2-9(6-10)7-12(19)20/h1-3,6,11,18H,4-5,7-8H2,(H,16,21)(H,19,20)
InChIKeyQRNCLPUKQZBIFJ-UHFFFAOYSA-N
XLogP1.40
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]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-[3-(chloromethyl)phenyl]-1,1-bis(2-hydroxyethyl)urea
CID 57213701
2-[3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]acetic acid
CID 65345894
2-[3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]phenyl]acetic acid
CID 65345591
2-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107483052
5-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 107481732
N-[3-(aminomethyl)phenyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107478853
1-benzyl-1-(2-hydroxyethyl)-3-[3-(2-phenylethynyl)phenyl]urea
CID 112838325
3-(3-acetylphenyl)-1,1-bis(2-hydroxyethyl)urea
CID 61347604
2-[3-(3-phenylpropanoylamino)phenyl]acetic acid
CID 28759486
2-[3-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 65345497
1-benzyl-3-(3-ethynylphenyl)-1-(2-hydroxyethyl)urea
CID 110896764
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]acetic acid (CID 107481817) is 2-[3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)N(CCO)CC(F)F)c1.
What is the InChIKey of 2-[3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]acetic acid?
The InChIKey is QRNCLPUKQZBIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O4/c14-11(15)8-17(4-5-18)13(21)16-10-3-1-2-9(6-10)7-12(19)20/h1-3,6,11,18H,4-5,7-8H2,(H,16,21)(H,19,20).
What are the key properties of 2-[3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]acetic acid?
2-[3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]acetic acid has a molecular weight of 302.28 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 107481817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).