2-[[2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetyl]amino]acetic acid

C11H11ClFN3O4 — CID 61471205

IUPAC2-[[2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C11H11ClFN3O4/c12-6-1-2-8(7(13)3-6)16-11(20)15-4-9(17)14-5-10(18)19/h1-3H,4-5H2,(H,14,17)(H,18,19)(H2,15,16,20)
InChIKeyLNNSQWWKKLKBJH-UHFFFAOYSA-N
MW303.68 g/mol
LogP0.80
Rot. Bonds5

About 2-[[2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetyl]amino]acetic acid

2-[[2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetyl]amino]acetic acid (PubChem CID 61471205) has the molecular formula C11H11ClFN3O4 and a molecular weight of 303.68 g/mol. Its IUPAC name is 2-[[2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetyl]amino]acetic acid
PubChem CID61471205
Molecular FormulaC11H11ClFN3O4
Molecular Weight303.68 g/mol
Exact Mass303.04
IUPAC Name2-[[2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C11H11ClFN3O4/c12-6-1-2-8(7(13)3-6)16-11(20)15-4-9(17)14-5-10(18)19/h1-3H,4-5H2,(H,14,17)(H,18,19)(H2,15,16,20)
InChIKeyLNNSQWWKKLKBJH-UHFFFAOYSA-N
XLogP0.80
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.68
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetyl]amino]acetic acid with MolForge

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Related Compounds

2-[(4-chloro-2-fluorophenyl)carbamoylamino]-N-(3,4-difluorophenyl)acetamide
CID 55473015
2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetic acid
CID 5003130
2-[[2-[(3,5-dichloro-4-fluorophenyl)carbamoylamino]acetyl]amino]acetic acid
CID 107576471
2-[[2-[(2-chloro-4-cyanophenyl)carbamoylamino]acetyl]amino]acetic acid
CID 107809314
4-[(4-chloro-2-fluorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002615
2-[[2-(5-chloro-2-fluorophenyl)acetyl]amino]acetic acid
CID 82479206
3-[(4-chloro-2-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 64701850
2-[(4-chloro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49276925
(E)-4-[(4-chloro-2-fluorophenyl)carbamoylamino]-4-oxobut-2-enoic acid
CID 109374324
1-(4-chloro-2-fluorophenyl)-3-(3-methoxypropyl)urea
CID 47032179
2-[carboxymethyl-[(4-chloro-2-fluorophenyl)carbamoyl]amino]acetic acid
CID 63645802
2-[[2-[(4-methoxy-2-methylphenyl)carbamoylamino]acetyl]amino]acetic acid
CID 62871905

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetyl]amino]acetic acid (CID 61471205) is 2-[[2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of 2-[[2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetyl]amino]acetic acid?
The InChIKey is LNNSQWWKKLKBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O4/c12-6-1-2-8(7(13)3-6)16-11(20)15-4-9(17)14-5-10(18)19/h1-3H,4-5H2,(H,14,17)(H,18,19)(H2,15,16,20).
What are the key properties of 2-[[2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetyl]amino]acetic acid?
2-[[2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetyl]amino]acetic acid has a molecular weight of 303.68 g/mol, XLogP of 0.80, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 61471205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).