2-[(2-chloro-4,6-difluorophenyl)carbamoylamino]acetic acid

C9H7ClF2N2O3 — CID 83087152

IUPAC2-[(2-chloro-4,6-difluorophenyl)carbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C9H7ClF2N2O3/c10-5-1-4(11)2-6(12)8(5)14-9(17)13-3-7(15)16/h1-2H,3H2,(H,15,16)(H2,13,14,17)
InChIKeyIAOVZASVMUKIPZ-UHFFFAOYSA-N
MW264.62 g/mol
LogP1.82
Rot. Bonds3

About 2-[(2-chloro-4,6-difluorophenyl)carbamoylamino]acetic acid

2-[(2-chloro-4,6-difluorophenyl)carbamoylamino]acetic acid (PubChem CID 83087152) has the molecular formula C9H7ClF2N2O3 and a molecular weight of 264.62 g/mol. Its IUPAC name is 2-[(2-chloro-4,6-difluorophenyl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-chloro-4,6-difluorophenyl)carbamoylamino]acetic acid
PubChem CID83087152
Molecular FormulaC9H7ClF2N2O3
Molecular Weight264.62 g/mol
Exact Mass264.01
IUPAC Name2-[(2-chloro-4,6-difluorophenyl)carbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C9H7ClF2N2O3/c10-5-1-4(11)2-6(12)8(5)14-9(17)13-3-7(15)16/h1-2H,3H2,(H,15,16)(H2,13,14,17)
InChIKeyIAOVZASVMUKIPZ-UHFFFAOYSA-N
XLogP1.82
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.62
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-4-[(2-chloro-4,6-difluorophenyl)carbamoylamino]but-2-enoic acid
CID 112746697
1-butyl-3-(2-chloro-4,6-difluorophenyl)urea
CID 115871717
3-[[(2-chloro-4,6-difluorophenyl)carbamoylamino]methyl]pentanoic acid
CID 83072644
1-(2-chloro-4,6-difluorophenyl)-3-methylurea
CID 21161536
2-[(3-chloro-5-fluorophenyl)carbamoylamino]acetic acid
CID 107368671
1-(2-chloro-4,6-difluorophenyl)-3-propan-2-ylurea
CID 115871702
5-[(2,6-dichloro-4-fluorophenyl)carbamoylamino]pentanoic acid
CID 83079136
2-[(2,6-dichlorophenyl)carbamoylamino]acetic acid
CID 28508172
2-[[2-[(3,5-dichloro-4-fluorophenyl)carbamoylamino]acetyl]amino]acetic acid
CID 107576471
2-[(2-chloro-4,6-difluorophenyl)carbamoylamino]-4-methylpentanoic acid
CID 83074350
1,3-bis(2,4,6-trifluorophenyl)urea
CID 11716736
N-(2-chloro-4,6-difluorophenyl)-4-oxopentanamide
CID 83088283

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4,6-difluorophenyl)carbamoylamino]acetic acid?
The IUPAC name of 2-[(2-chloro-4,6-difluorophenyl)carbamoylamino]acetic acid (CID 83087152) is 2-[(2-chloro-4,6-difluorophenyl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-[(2-chloro-4,6-difluorophenyl)carbamoylamino]acetic acid?
The canonical SMILES for 2-[(2-chloro-4,6-difluorophenyl)carbamoylamino]acetic acid is O=C(O)CNC(=O)Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4,6-difluorophenyl)carbamoylamino]acetic acid?
The InChIKey is IAOVZASVMUKIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2N2O3/c10-5-1-4(11)2-6(12)8(5)14-9(17)13-3-7(15)16/h1-2H,3H2,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[(2-chloro-4,6-difluorophenyl)carbamoylamino]acetic acid?
2-[(2-chloro-4,6-difluorophenyl)carbamoylamino]acetic acid has a molecular weight of 264.62 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4,6-difluorophenyl)carbamoylamino]acetic acid is sourced from PubChem (CID 83087152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).