2-[(2-chloro-6-fluorophenyl)methylcarbamoylamino]acetic acid

C10H10ClFN2O3 — CID 60707354

IUPAC2-[(2-chloro-6-fluorophenyl)methylcarbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)NCc1c(F)cccc1Cl
InChIInChI=1S/C10H10ClFN2O3/c11-7-2-1-3-8(12)6(7)4-13-10(17)14-5-9(15)16/h1-3H,4-5H2,(H,15,16)(H2,13,14,17)
InChIKeyUSTRVXDNNYCNAP-UHFFFAOYSA-N
MW260.65 g/mol
LogP1.36
Rot. Bonds4

About 2-[(2-chloro-6-fluorophenyl)methylcarbamoylamino]acetic acid

2-[(2-chloro-6-fluorophenyl)methylcarbamoylamino]acetic acid (PubChem CID 60707354) has the molecular formula C10H10ClFN2O3 and a molecular weight of 260.65 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylcarbamoylamino]acetic acid
PubChem CID60707354
Molecular FormulaC10H10ClFN2O3
Molecular Weight260.65 g/mol
Exact Mass260.04
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylcarbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)NCc1c(F)cccc1Cl
InChIInChI=1S/C10H10ClFN2O3/c11-7-2-1-3-8(12)6(7)4-13-10(17)14-5-9(15)16/h1-3H,4-5H2,(H,15,16)(H2,13,14,17)
InChIKeyUSTRVXDNNYCNAP-UHFFFAOYSA-N
XLogP1.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.65
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylcarbamoylamino]acetic acid?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylcarbamoylamino]acetic acid (CID 60707354) is 2-[(2-chloro-6-fluorophenyl)methylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylcarbamoylamino]acetic acid?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylcarbamoylamino]acetic acid is O=C(O)CNC(=O)NCc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylcarbamoylamino]acetic acid?
The InChIKey is USTRVXDNNYCNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O3/c11-7-2-1-3-8(12)6(7)4-13-10(17)14-5-9(15)16/h1-3H,4-5H2,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylcarbamoylamino]acetic acid?
2-[(2-chloro-6-fluorophenyl)methylcarbamoylamino]acetic acid has a molecular weight of 260.65 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylcarbamoylamino]acetic acid is sourced from PubChem (CID 60707354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).