2-[(2-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid

C12H12ClFN2O3 — CID 54978336

IUPAC2-[(2-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)Nc1ccc(F)cc1Cl)C1CC1
InChIInChI=1S/C12H12ClFN2O3/c13-9-5-7(14)1-4-10(9)15-12(19)16(6-11(17)18)8-2-3-8/h1,4-5,8H,2-3,6H2,(H,15,19)(H,17,18)
InChIKeyOLBACHUPAJYLAI-UHFFFAOYSA-N
MW286.69 g/mol
LogP2.56
Rot. Bonds4

About 2-[(2-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid

2-[(2-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid (PubChem CID 54978336) has the molecular formula C12H12ClFN2O3 and a molecular weight of 286.69 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
PubChem CID54978336
Molecular FormulaC12H12ClFN2O3
Molecular Weight286.69 g/mol
Exact Mass286.05
IUPAC Name2-[(2-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)Nc1ccc(F)cc1Cl)C1CC1
InChIInChI=1S/C12H12ClFN2O3/c13-9-5-7(14)1-4-10(9)15-12(19)16(6-11(17)18)8-2-3-8/h1,4-5,8H,2-3,6H2,(H,15,19)(H,17,18)
InChIKeyOLBACHUPAJYLAI-UHFFFAOYSA-N
XLogP2.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.69
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid
CID 54978295
2-[(2-bromo-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978668
3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea
CID 95972891
2-[(3-chloro-2-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978717
2-[(2-chloro-4-fluorophenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63065952
2-[cyclopropyl-[(2,4-dibromophenyl)carbamoyl]amino]acetic acid
CID 54983981
2-[(2-chloro-4-fluorobenzoyl)-cyclopentylamino]acetic acid
CID 60826007
2-[cyclopropyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid
CID 103586733
3-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111790504
2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid
CID 61181181
2-[cyclopropyl-[(2,5-dimethylphenyl)carbamoyl]amino]acetic acid
CID 54978482
2-[cyclopropyl-[(2-iodophenyl)carbamoyl]amino]acetic acid
CID 54978431

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid (CID 54978336) is 2-[(2-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid is O=C(O)CN(C(=O)Nc1ccc(F)cc1Cl)C1CC1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid?
The InChIKey is OLBACHUPAJYLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O3/c13-9-5-7(14)1-4-10(9)15-12(19)16(6-11(17)18)8-2-3-8/h1,4-5,8H,2-3,6H2,(H,15,19)(H,17,18).
What are the key properties of 2-[(2-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid?
2-[(2-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid has a molecular weight of 286.69 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid is sourced from PubChem (CID 54978336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).