2-[(3-chloro-5-fluorophenyl)carbamoylamino]acetic acid

C9H8ClFN2O3 — CID 107368671

IUPAC2-[(3-chloro-5-fluorophenyl)carbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C9H8ClFN2O3/c10-5-1-6(11)3-7(2-5)13-9(16)12-4-8(14)15/h1-3H,4H2,(H,14,15)(H2,12,13,16)
InChIKeyXAMNNXJVHIDGHN-UHFFFAOYSA-N
MW246.62 g/mol
LogP1.69
Rot. Bonds3

About 2-[(3-chloro-5-fluorophenyl)carbamoylamino]acetic acid

2-[(3-chloro-5-fluorophenyl)carbamoylamino]acetic acid (PubChem CID 107368671) has the molecular formula C9H8ClFN2O3 and a molecular weight of 246.62 g/mol. Its IUPAC name is 2-[(3-chloro-5-fluorophenyl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-chloro-5-fluorophenyl)carbamoylamino]acetic acid
PubChem CID107368671
Molecular FormulaC9H8ClFN2O3
Molecular Weight246.62 g/mol
Exact Mass246.02
IUPAC Name2-[(3-chloro-5-fluorophenyl)carbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C9H8ClFN2O3/c10-5-1-6(11)3-7(2-5)13-9(16)12-4-8(14)15/h1-3H,4H2,(H,14,15)(H2,12,13,16)
InChIKeyXAMNNXJVHIDGHN-UHFFFAOYSA-N
XLogP1.69
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.62
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-4,6-difluorophenyl)carbamoylamino]acetic acid
CID 83087152
2-[[(3-chloro-5-fluorophenyl)carbamoylamino]methyl]butanoic acid
CID 107368668
2-[[2-[(3,5-dichloro-4-fluorophenyl)carbamoylamino]acetyl]amino]acetic acid
CID 107576471
2-[2-(3-chloro-5-fluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 107363768
3-[(3-chloro-5-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 107368755
2-[(3-chloro-5-fluorobenzoyl)amino]acetic acid
CID 175668363
2-[2-(3-chloro-5-fluoroanilino)-2-oxoethoxy]acetic acid
CID 107363764
5-[(3-chloro-5-fluorophenyl)carbamoylamino]hexanoic acid
CID 107368743
2-[(3-chloro-5-fluorophenyl)carbamoylamino]-2-ethylbutanoic acid
CID 107368764
3-[(3,5-difluorophenyl)carbamoylamino]propanoic acid
CID 61189395
3-[(3,5-dichlorophenyl)carbamoylamino]propanoic acid
CID 28511134
5-[[(3-chloro-5-fluorophenyl)carbamoylamino]methyl]oxolane-2-carboxylic acid
CID 107368736

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-5-fluorophenyl)carbamoylamino]acetic acid?
The IUPAC name of 2-[(3-chloro-5-fluorophenyl)carbamoylamino]acetic acid (CID 107368671) is 2-[(3-chloro-5-fluorophenyl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-[(3-chloro-5-fluorophenyl)carbamoylamino]acetic acid?
The canonical SMILES for 2-[(3-chloro-5-fluorophenyl)carbamoylamino]acetic acid is O=C(O)CNC(=O)Nc1cc(F)cc(Cl)c1.
What is the InChIKey of 2-[(3-chloro-5-fluorophenyl)carbamoylamino]acetic acid?
The InChIKey is XAMNNXJVHIDGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN2O3/c10-5-1-6(11)3-7(2-5)13-9(16)12-4-8(14)15/h1-3H,4H2,(H,14,15)(H2,12,13,16).
What are the key properties of 2-[(3-chloro-5-fluorophenyl)carbamoylamino]acetic acid?
2-[(3-chloro-5-fluorophenyl)carbamoylamino]acetic acid has a molecular weight of 246.62 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-5-fluorophenyl)carbamoylamino]acetic acid is sourced from PubChem (CID 107368671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).