2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]acetic acid

C10H10ClFN2O3 — CID 43135927

IUPAC2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C10H10ClFN2O3/c1-14(5-8(15)16)10(17)13-7-4-2-3-6(11)9(7)12/h2-4H,5H2,1H3,(H,13,17)(H,15,16)
InChIKeyDNZDOHLTGXCWCX-UHFFFAOYSA-N
MW260.65 g/mol
LogP2.03
Rot. Bonds3

About 2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]acetic acid

2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]acetic acid (PubChem CID 43135927) has the molecular formula C10H10ClFN2O3 and a molecular weight of 260.65 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]acetic acid
PubChem CID43135927
Molecular FormulaC10H10ClFN2O3
Molecular Weight260.65 g/mol
Exact Mass260.04
IUPAC Name2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C10H10ClFN2O3/c1-14(5-8(15)16)10(17)13-7-4-2-3-6(11)9(7)12/h2-4H,5H2,1H3,(H,13,17)(H,15,16)
InChIKeyDNZDOHLTGXCWCX-UHFFFAOYSA-N
XLogP2.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.65
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-3-chlorophenyl)carbamoyl-methylamino]acetic acid
CID 103480815
2-[(3-chloro-2-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978717
3-(3-chloro-2-fluorophenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea
CID 72915964
2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62820934
3-[(3-chloro-2-methylphenyl)carbamoyl-methylamino]propanoic acid
CID 61182598
3-(3-chloro-2-fluorophenyl)-1-(1,4-dioxan-2-ylmethyl)-1-methylurea
CID 72903387
2-[(3-bromo-2-methylphenyl)carbamoyl-methylamino]acetic acid
CID 107627390
5-(3-chloro-2-fluoroanilino)-5-oxopentanoic acid
CID 43396608
3-chloro-N-(3-chloro-2-fluorophenyl)propanamide
CID 28830698
3-amino-N-(3-chloro-2-fluorophenyl)propanamide
CID 28969296
5-(3-chloro-2-fluoroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 27156582
2-chloro-6-[[cyclopropylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63724321

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]acetic acid?
The IUPAC name of 2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]acetic acid (CID 43135927) is 2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]acetic acid?
The canonical SMILES for 2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]acetic acid is CN(CC(=O)O)C(=O)Nc1cccc(Cl)c1F.
What is the InChIKey of 2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]acetic acid?
The InChIKey is DNZDOHLTGXCWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O3/c1-14(5-8(15)16)10(17)13-7-4-2-3-6(11)9(7)12/h2-4H,5H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]acetic acid?
2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]acetic acid has a molecular weight of 260.65 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]acetic acid is sourced from PubChem (CID 43135927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).